data_1u7m_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 1u7m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -64.84 -38.73 91.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.904 1.282 . . . . 0.0 112.195 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.82 -42.82 85.22 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.469 1.108 . . . . 0.0 111.733 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.76 -54.48 44.64 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.904 0.882 . . . . 0.0 111.545 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -44.09 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.414 1.885 . . . . 0.0 112.24 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -64.35 -44.35 91.72 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.33 -37.77 80.88 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.463 1.029 . . . . 0.0 112.53 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.78 -40.25 66.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.183 1.793 . . . . 0.0 112.01 165.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.58 -23.03 29.83 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -68.49 -36.87 79.53 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.438 1.017 . . . . 0.0 112.019 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.58 89.03 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.629 0.65 . . . . 0.0 109.618 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.8 tpp -60.67 -41.12 94.42 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.221 0.918 . . . . 0.0 112.837 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -37.47 81.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.251 1.02 . . . . 0.0 111.545 177.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.11 -47.1 86.11 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.618 0.767 . . . . 0.0 112.085 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -61.71 -32.68 72.91 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.737 1.615 . . . . 0.0 113.651 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -53.67 -35.66 61.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.633 1.573 . . . . 0.0 112.855 171.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.65 -35.12 11.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.591 1.556 . . . . 0.0 112.489 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.86 60.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 112.013 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 t -56.58 -30.76 63.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.668 1.587 . . . . 0.0 114.401 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.8 -43.2 47.42 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.72 -1.238 . . . . 0.0 112.073 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -68.56 -34.61 76.12 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.626 -0.671 . . . . 0.0 112.508 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 25.63 0.12 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.869 2.068 . . . . 0.0 114.149 172.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -52.28 -25.65 10.0 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.23 125.82 86.39 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.93 1.292 . . . . 0.0 110.509 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.42 -16.18 42.96 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 123.095 2.53 . . . . 0.0 114.33 -165.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -66.35 -51.62 55.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.466 0.706 . . . . 0.0 110.197 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -64.68 -43.57 93.11 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.419 1.488 . . . . 0.0 111.335 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -69.91 7.54 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -126.64 13.02 7.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.661 1.584 . . . . 0.0 112.718 166.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.66 -48.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.676 1.591 . . . . 0.0 110.735 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -16.59 62.09 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.139 1.336 . . . . 0.0 112.006 169.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -66.85 -39.29 87.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.596 1.158 . . . . 0.0 112.307 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.7 mmpt? -70.04 -33.64 72.23 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.651 -0.656 . . . . 0.0 112.654 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.91 -57.93 9.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.4 mt -48.21 -43.11 31.72 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.677 1.581 . . . . 0.0 113.803 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.76 -38.07 76.62 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -68.79 -34.26 75.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.34 1.456 . . . . 0.0 112.798 171.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.73 -32.48 17.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.951 1.7 . . . . 0.0 109.976 -164.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.91 -37.12 81.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.551 1.141 . . . . 0.0 112.254 159.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -35.36 77.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.049 0.94 . . . . 0.0 112.795 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -63.89 -56.92 11.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.03 1.332 . . . . 0.0 111.734 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 mp -42.87 -44.33 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 126.074 1.75 . . . . 0.0 113.17 163.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -40.09 84.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.027 -1.045 . . . . 0.0 113.087 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -80.8 -38.73 27.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.51 1.124 . . . . 0.0 112.264 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.44 -35.89 60.97 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 125.869 1.668 . . . . 0.0 112.069 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -65.52 -41.4 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.652 0.781 . . . . 0.0 113.069 171.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.0 mt -86.57 -22.35 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.602 1.561 . . . . 0.0 113.231 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.552 1.031 0 C-N-CA 125.283 1.433 . . . . 0.0 113.008 -178.248 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -37.44 68.61 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.036 0.835 . . . . 0.0 111.388 169.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.37 -39.51 87.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.819 1.248 . . . . 0.0 112.744 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.01 -58.07 4.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -43.51 76.83 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.459 2.304 . . . . 0.0 112.562 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.83 -45.85 76.97 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -38.42 91.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.993 0.815 . . . . 0.0 112.371 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -42.47 69.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.571 1.548 . . . . 0.0 112.916 168.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -85.56 -23.79 27.49 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.81 -25.25 66.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.45 -0.781 . . . . 0.0 111.917 171.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -51.03 17.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.285 0.948 . . . . 0.0 110.019 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -50.5 -43.57 55.7 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.712 1.142 . . . . 0.0 113.125 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.96 -33.96 68.59 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.059 -1.026 . . . . 0.0 112.946 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.17 -40.26 95.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.197 0.453 . . . . 0.0 111.084 168.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.36 -33.06 74.98 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.685 1.594 . . . . 0.0 112.977 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -61.08 -49.98 75.13 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.791 1.178 . . . . 0.0 113.16 168.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.99 -40.26 63.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.727 0.811 . . . . 0.0 111.947 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.6 -38.8 72.54 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.878 0.871 . . . . 0.0 111.713 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.99 -34.64 76.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.752 1.16 . . . . 0.0 113.297 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.01 -41.83 99.66 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.09 -1.006 . . . . 0.0 112.352 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -73.84 -43.66 57.99 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.593 1.157 . . . . 0.0 112.324 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.71 26.98 0.17 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.582 2.353 . . . . 0.0 114.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -56.09 -18.34 9.49 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.76 134.37 86.54 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.518 1.527 . . . . 0.0 111.501 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.04 -22.34 55.13 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.125 2.55 . . . . 0.0 114.713 -168.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.06 -61.8 2.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.665 1.186 . . . . 0.0 111.436 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.09 -38.89 75.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.763 0.825 . . . . 0.0 111.981 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.14 -18.65 49.12 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -108.04 9.41 28.45 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.771 1.228 . . . . 0.0 113.813 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -114.58 -43.9 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.565 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -18.99 61.49 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.649 1.113 . . . . 0.0 112.011 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.33 -32.56 74.03 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 112.917 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.07 -42.6 66.01 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.428 -0.795 . . . . 0.0 111.241 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.91 -46.72 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 118.793 -0.623 . . . . 0.0 110.113 168.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.13 -46.52 68.83 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.954 1.252 . . . . 0.0 112.628 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.22 -37.09 77.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -61.31 -40.6 94.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.635 1.174 . . . . 0.0 112.15 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.54 -38.73 71.02 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.267 -0.896 . . . . 0.0 111.116 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.72 -35.98 75.64 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.554 -0.716 . . . . 0.0 111.456 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -59.22 -47.17 86.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.284 1.034 . . . . 0.0 112.114 170.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -63.25 -42.31 99.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.512 1.051 . . . . 0.0 111.935 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.63 -37.92 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.635 1.174 . . . . 0.0 111.465 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.92 -48.24 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.48 1.036 . . . . 0.0 111.901 170.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -69.84 -40.4 75.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.167 0.587 . . . . 0.0 111.947 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.88 -41.93 75.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.619 1.567 . . . . 0.0 111.92 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.9 -45.3 82.5 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.4 m -59.11 -27.69 65.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.087 0.955 . . . . 0.0 113.431 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.75 -18.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 0.0 113.786 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 CA--C 1.548 0.904 0 C-N-CA 124.044 0.937 . . . . 0.0 111.879 173.576 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.256 0.55 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -31.29 72.08 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.367 0.667 . . . . 0.0 111.604 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.27 -38.71 87.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.895 1.278 . . . . 0.0 112.854 171.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.54 HD22 HD12 ' B' ' 17' ' ' LEU . 76.5 mt -67.07 -52.19 45.21 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.29 1.036 . . . . 0.0 111.02 176.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -44.82 -47.28 10.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 112.748 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -66.45 -43.26 86.04 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -71.52 -31.48 67.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.896 0.878 . . . . 0.0 112.684 172.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.2 -39.73 72.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.604 1.562 . . . . 0.0 111.911 163.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -78.25 -24.75 46.76 Favored 'General case' 0 C--N 1.342 0.283 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -61.37 -34.0 74.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.514 1.052 . . . . 0.0 112.061 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.38 78.36 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.845 0.748 . . . . 0.0 111.021 171.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.46 89.66 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.289 0.95 . . . . 0.0 112.772 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -42.74 88.65 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.097 0.959 . . . . 0.0 111.782 174.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 112.268 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.04 -34.8 73.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.26 1.424 . . . . 0.0 113.487 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.08 67.28 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 174.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -92.74 -37.02 12.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.266 1.426 . . . . 0.0 112.52 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.08 72.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.029 0.932 . . . . 0.0 112.299 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -62.7 -36.06 81.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -75.07 -37.8 61.48 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.347 -0.846 . . . . 0.0 112.342 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.92 -40.57 98.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.576 1.15 . . . . 0.0 112.453 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -65.08 0.72 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.679 1.192 . . . . 0.0 112.106 173.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 44.29 23.48 0.07 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.254 2.221 . . . . 0.0 115.468 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -130.73 132.59 24.03 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.083 1.753 . . . . 0.0 109.731 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.37 -25.27 42.25 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.77 2.313 . . . . 0.0 114.179 -164.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.18 -51.51 68.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.577 0.751 . . . . 0.0 111.456 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HE2' HD11 ' B' ' 51' ' ' ILE . 12.8 mmtp -63.53 -42.3 98.45 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.712 1.205 . . . . 0.0 111.557 171.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -63.96 -8.89 12.83 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -114.21 12.24 17.68 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.409 1.484 . . . . 0.0 113.386 170.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -120.08 -37.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.768 1.627 . . . . 0.0 111.612 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -19.9 48.49 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.935 1.243 . . . . 0.0 112.325 168.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -65.57 -40.6 92.96 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.052 -1.03 . . . . 0.0 112.594 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HE3' ' CE3' ' B' ' 47' ' ' TRP . 50.7 pttt -65.13 -32.16 73.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.12 -47.33 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.834 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.33 -39.47 72.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.97 1.259 . . . . 0.0 113.235 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.6 -33.2 70.78 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.88 -41.25 91.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.93 -36.9 70.06 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.048 -1.032 . . . . 0.0 111.2 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.76 -35.32 79.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.442 -0.787 . . . . 0.0 111.761 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.28 98.46 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.621 -0.675 . . . . 0.0 111.981 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' HG12 ' B' ' 37' ' ' ILE . 54.1 m170 -61.68 -44.78 96.29 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.909 0.883 . . . . 0.0 111.466 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.89 -38.66 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.922 0.889 . . . . 0.0 112.114 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -46.31 85.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.14 1.336 . . . . 0.0 112.092 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 16.0 m0 -73.34 -41.3 63.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.789 -0.57 . . . . 0.0 111.896 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.95 -45.14 87.1 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.344 1.458 . . . . 0.0 111.551 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.27 -43.9 97.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.401 0.68 . . . . 0.0 111.972 172.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -60.59 -29.14 69.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.74 0.816 . . . . 0.0 113.189 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.2 -23.17 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.0 1.72 . . . . 0.0 113.501 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 125.64 1.576 . . . . 0.0 112.458 177.144 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -107.52 -39.53 5.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.933 2.093 . . . . 0.0 108.63 -167.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.39 -51.04 61.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.804 157.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.309 0.1 OUTLIER -62.7 -47.31 84.16 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -41.65 62.79 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.293 1.837 . . . . 0.0 112.392 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.87 -50.68 65.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -37.74 84.74 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 170.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.76 -35.07 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.72 1.208 . . . . 0.0 112.9 166.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -90.69 -24.05 20.55 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -68.54 -33.39 74.02 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.075 -1.015 . . . . 0.0 111.598 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.93 93.69 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.683 0.674 . . . . 0.0 110.297 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -62.76 -43.51 98.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -61.79 -40.83 96.58 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.476 -0.765 . . . . 0.0 112.334 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 7' ' ' LEU . 1.4 mt -60.21 -42.31 94.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 169.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.53 -31.59 72.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.299 1.44 . . . . 0.0 113.324 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -58.67 -49.07 78.91 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 111.545 170.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -71.58 -40.96 69.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.29 0.636 . . . . 0.0 112.192 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -32.63 61.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.933 172.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -64.34 -33.37 75.7 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.604 1.093 . . . . 0.0 113.271 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -71.32 -40.04 71.02 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.046 -1.034 . . . . 0.0 112.354 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.3 93.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.336 0.655 . . . . 0.0 111.094 171.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.78 36.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.237 2.615 . . . . 0.0 113.836 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -55.96 -22.28 25.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.53 133.85 95.82 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.192 1.397 . . . . 0.0 111.31 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.5 -18.86 49.22 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.265 2.643 . . . . 0.0 114.542 -171.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.2 -58.87 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.069 0.85 . . . . 0.0 110.323 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -59.61 -42.33 92.38 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.372 1.069 . . . . 0.0 111.093 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -63.68 -4.22 2.88 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 18.6 m -118.9 9.31 11.92 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 113.433 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -113.74 -47.49 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.469 1.507 . . . . 0.0 110.21 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -19.84 60.96 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.469 1.032 . . . . 0.0 111.677 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.11 -32.38 73.48 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.372 -0.83 . . . . 0.0 112.841 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -70.0 -41.41 74.39 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.431 -0.793 . . . . 0.0 111.871 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.55 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 69.5 mt -61.91 -48.4 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.67 0.788 . . . . 0.0 109.581 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.48 -45.37 66.13 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.606 1.094 . . . . 0.0 112.393 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.35 -40.0 77.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -62.09 -39.73 93.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 112.318 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 35.6 mm-40 -71.67 -38.48 70.63 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.607 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.07 -38.82 80.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.429 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -57.76 -46.61 84.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.66 1.184 . . . . 0.0 112.301 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -61.95 -42.03 98.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.155 0.982 . . . . 0.0 111.933 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -36.93 78.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.251 1.02 . . . . 0.0 111.602 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.21 -46.32 86.06 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.871 1.669 . . . . 0.0 112.045 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . 0.538 ' CE3' ' HE3' ' A' ' 36' ' ' LYS . 18.8 m0 -72.35 -40.87 67.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.49 0.716 . . . . 0.0 111.823 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.86 -44.48 86.61 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.443 1.497 . . . . 0.0 112.18 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.44 -43.95 97.58 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.21 0.604 . . . . 0.0 111.77 170.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -61.23 -28.39 69.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.4 HD11 ' HE2' ' A' ' 30' ' ' LYS . 32.6 mm -93.49 -21.22 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.563 1.545 . . . . 0.0 113.695 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 CA--C 1.55 0.965 0 C-N-CA 125.461 1.505 . . . . 0.0 112.271 177.642 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.61 -34.25 64.95 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.516 1.126 . . . . 0.0 111.939 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.7 -40.69 97.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.557 1.143 . . . . 0.0 111.334 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.12 -55.08 39.54 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.082 0.953 . . . . 0.0 111.399 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.44 84.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.092 2.557 . . . . 0.0 113.684 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -66.64 -54.11 26.85 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.494 -0.754 . . . . 0.0 112.838 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.33 -31.98 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.815 0.846 . . . . 0.0 113.043 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.585 ' OE1' ' OE2' ' B' ' 41' ' ' GLU . 2.1 mm-40 -57.68 -40.49 79.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.266 1.027 . . . . 0.0 112.9 165.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.82 -19.07 31.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -64.17 -37.79 88.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.221 -0.924 . . . . 0.0 111.601 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.79 95.07 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.216 0.462 . . . . 0.0 110.287 170.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.86 0.864 . . . . 0.0 113.219 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -63.2 -45.0 93.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.737 0.699 . . . . 0.0 111.61 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.848 HD21 HD13 ' B' ' 7' ' ' LEU . 1.1 mt -58.78 -45.79 89.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 172.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.32 -41.56 89.4 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.469 1.907 . . . . 0.0 112.887 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -64.86 -31.41 72.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.099 0.863 . . . . 0.0 112.827 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -87.36 -38.73 15.93 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.504 1.121 . . . . 0.0 112.313 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.93 75.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.823 0.849 . . . . 0.0 111.777 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -27.4 68.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.364 1.065 . . . . 0.0 113.625 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.27 -48.1 45.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.176 -0.953 . . . . 0.0 111.377 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -66.62 -46.5 75.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.369 0.668 . . . . 0.0 111.533 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.92 44.63 0.94 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.032 1.733 . . . . 0.0 112.608 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -15.55 27.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -63.85 132.94 95.4 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 126.457 1.903 . . . . 0.0 111.319 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.77 -18.14 57.66 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.627 2.885 . . . . 0.0 114.526 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.86 -29.34 69.47 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.181 0.901 . . . . 0.0 113.005 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.37 -36.39 5.8 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.055 1.742 . . . . 0.0 113.009 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -65.49 -3.99 5.2 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 m -116.85 12.83 14.88 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.996 1.319 . . . . 0.0 113.351 168.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.976 HG13 HD13 ' B' ' 51' ' ' ILE . 29.4 t -117.63 -50.38 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.937 1.695 . . . . 0.0 110.194 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -19.2 64.04 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.259 0.936 . . . . 0.0 111.746 171.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -61.5 -34.82 76.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.059 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.11 61.56 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.193 0.997 . . . . 0.0 111.824 -177.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.399 HG13 ' CE3' ' B' ' 47' ' ' TRP . 78.6 mt -64.0 -45.17 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.373 0.669 . . . . 0.0 109.526 167.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.76 -39.79 68.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.086 1.312 . . . . 0.0 113.088 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.28 0.946 . . . . 0.0 112.399 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.561 ' HB2' ' HE2' ' B' ' 44' ' ' HIS . 27.4 m-20 -60.78 -38.99 87.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 0.0 112.325 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.993 ' OE2' ' ND1' ' B' ' 44' ' ' HIS . 51.6 mm-40 -76.18 -38.3 56.76 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.922 -1.111 . . . . 0.0 111.323 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.64 -35.84 75.19 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.442 -0.786 . . . . 0.0 111.539 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -63.66 -39.78 95.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.9 0.88 . . . . 0.0 112.539 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.798 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 56.0 m170 -63.68 -48.23 78.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 119.513 1.052 . . . . 0.0 111.595 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.02 -37.4 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.389 0.675 . . . . 0.0 112.044 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.07 -49.02 74.98 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.521 1.055 . . . . 0.0 112.682 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.788 ' CH2' ' HB3' ' B' ' 36' ' ' LYS . 33.2 m0 -72.22 -39.88 68.19 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.535 -0.728 . . . . 0.0 112.258 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.19 -28.22 51.48 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.822 1.649 . . . . 0.0 113.375 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -40.61 15.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.827 0.851 . . . . 0.0 110.534 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -57.29 -25.72 59.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 0.0 112.775 170.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.9 mt -94.1 -5.8 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 126.939 2.095 . . . . 0.0 112.875 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 126.179 1.792 . . . . 0.0 112.517 -169.128 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' B' ' 5' ' ' ARG . 1.3 pp . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.413 ' H ' ' HG ' ' B' ' 4' ' ' LEU . 3.0 ppt_? -59.35 -29.0 67.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.327 1.051 . . . . 0.0 113.042 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -71.3 -48.38 51.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.473 1.109 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.848 HD13 HD21 ' A' ' 17' ' ' LEU . 9.9 mp -64.87 -47.4 77.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.237 1.415 . . . . 0.0 112.227 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -45.54 -37.2 5.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.968 2.507 . . . . 0.0 114.548 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.19 -55.38 12.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.85 -36.05 81.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.309 1.044 . . . . 0.0 112.261 171.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.29 -39.49 75.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.156 1.383 . . . . 0.0 111.839 170.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -85.95 -19.81 29.89 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.44 -34.68 78.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.015 0.825 . . . . 0.0 112.229 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -43.05 77.77 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 118.664 0.665 . . . . 0.0 110.31 171.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.01 -40.71 94.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.352 0.978 . . . . 0.0 112.67 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -64.06 -41.01 97.5 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.283 -0.886 . . . . 0.0 112.338 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.67 -44.36 96.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.134 0.574 . . . . 0.0 112.126 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -63.96 -34.01 77.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.97 0.908 . . . . 0.0 112.942 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -39.78 27.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.805 0.73 . . . . 0.0 112.525 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.45 66.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.569 1.148 . . . . 0.0 112.082 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.1 t -60.91 -34.44 74.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.231 1.012 . . . . 0.0 112.912 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -72.11 -42.74 65.74 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.988 -1.07 . . . . 0.0 112.04 173.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -30.06 67.02 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.708 1.203 . . . . 0.0 113.339 169.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 39.04 3.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.581 1.952 . . . . 0.0 112.739 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -20.09 5.97 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.42 134.92 85.38 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.168 1.387 . . . . 0.0 111.917 171.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.45 -23.16 51.04 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.062 2.508 . . . . 0.0 114.381 -172.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.01 -56.03 25.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.615 0.766 . . . . 0.0 112.116 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -67.89 -37.23 81.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.616 0.767 . . . . 0.0 112.448 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -62.2 -2.58 1.01 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.3 t -122.18 19.7 10.67 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 112.942 168.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.15 -47.87 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.672 1.989 . . . . 0.0 110.649 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -19.4 62.54 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.586 1.085 . . . . 0.0 111.255 169.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -67.95 -33.24 74.29 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 112.63 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.788 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 9.0 mmtp -68.55 -39.99 80.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.479 0.711 . . . . 0.0 112.632 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.455 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 70.4 mt -64.18 -48.56 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.179 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.26 -41.65 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.101 1.319 . . . . 0.0 113.005 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.29 -46.42 80.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.06 0.845 . . . . 0.0 113.23 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.798 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 26.5 m-20 -59.02 -41.88 88.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.54 1.136 . . . . 0.0 111.933 173.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.585 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.0 mm-40 -74.47 -39.07 62.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 111.016 -176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.63 -36.59 79.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.582 -0.699 . . . . 0.0 111.569 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -63.15 -42.86 99.54 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.309 0.644 . . . . 0.0 112.488 173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.993 ' ND1' ' OE2' ' A' ' 41' ' ' GLU . 52.5 m170 -60.38 -46.3 90.45 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.311 0.96 . . . . 0.0 111.602 174.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.94 -40.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.982 0.913 . . . . 0.0 110.946 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.86 -43.32 90.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.652 0.66 . . . . 0.0 112.044 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . 1.399 ' CE3' HG13 ' A' ' 37' ' ' ILE . 24.8 m0 -72.83 -42.1 64.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.829 0.852 . . . . 0.0 111.958 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.59 -43.16 84.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.724 1.61 . . . . 0.0 112.237 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -40.18 77.04 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.592 0.757 . . . . 0.0 111.841 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.2 m -59.9 -29.82 68.61 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.515 -0.741 . . . . 0.0 112.9 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.976 HD13 HG13 ' A' ' 33' ' ' VAL . 41.7 mt -91.08 -12.16 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.75 2.02 . . . . 0.0 113.14 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 124.837 1.255 . . . . 0.0 112.161 174.389 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.584 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.915 0.388 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -56.6 -33.45 66.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.409 1.484 . . . . 0.0 112.975 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.02 -47.02 84.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.919 0.887 . . . . 0.0 112.22 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.21 -55.58 23.8 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 112.235 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.57 45.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.687 2.395 . . . . 0.0 112.596 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -67.11 -43.5 82.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.19 -35.78 78.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.766 0.826 . . . . 0.0 112.68 173.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -43.31 67.33 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.494 1.517 . . . . 0.0 112.124 164.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.85 -21.74 43.77 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.21 -35.58 81.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.924 1.238 . . . . 0.0 111.984 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.08 67.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.105 0.866 . . . . 0.0 110.734 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 tpt -57.4 -40.41 78.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.33 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -41.59 79.46 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.877 -1.139 . . . . 0.0 110.431 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.46 -42.96 97.27 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.423 0.689 . . . . 0.0 111.82 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -59.71 -37.62 79.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.121 1.768 . . . . 0.0 113.858 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.14 -41.98 89.58 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.951 0.9 . . . . 0.0 112.673 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -94.9 -27.89 15.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.352 1.061 . . . . 0.0 113.591 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.02 70.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.692 1.197 . . . . 0.0 111.65 166.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -57.04 -31.56 65.28 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 169.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.58 -39.99 84.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.0 -1.062 . . . . 0.0 112.418 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -49.95 56.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.198 0.599 . . . . 0.0 110.816 171.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.63 34.92 0.06 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 128.211 2.605 . . . . 0.0 114.195 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -57.3 -23.76 50.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.086 1.754 . . . . 0.0 114.441 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.33 129.05 93.04 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.741 1.217 . . . . 0.0 110.552 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.35 -21.65 60.91 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.143 2.562 . . . . 0.0 114.187 -170.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.76 -46.79 80.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.967 0.803 . . . . 0.0 111.717 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -34.39 64.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.815 1.646 . . . . 0.0 112.165 171.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -59.33 -48.79 80.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.803 0.841 . . . . 0.0 110.819 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -77.64 7.96 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.39 -53.21 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.77 1.228 . . . . 0.0 110.395 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -68.15 -21.92 64.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.138 1.335 . . . . 0.0 112.606 174.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.86 -33.0 74.71 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.519 1.054 . . . . 0.0 113.257 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -68.08 -38.75 82.73 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.668 1.122 . . . . 0.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.42 -52.46 60.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.29 165.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.328 0.2 OUTLIER -56.19 -35.24 67.04 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.16 1.8 . . . . 0.0 112.872 -178.28 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.1 -42.87 83.84 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.166 -0.959 . . . . 0.0 113.493 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -63.34 -36.68 84.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.021 1.328 . . . . 0.0 112.451 171.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -84.36 -33.37 23.85 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.162 0.985 . . . . 0.0 110.516 -165.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.85 -36.12 78.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.109 0.964 . . . . 0.0 112.219 164.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.9 -37.51 87.88 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.033 0.933 . . . . 0.0 112.964 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -60.74 -42.97 98.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.434 1.094 . . . . 0.0 112.139 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.81 -36.29 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.21 1.004 . . . . 0.0 111.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.84 -43.17 99.39 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.152 1.342 . . . . 0.0 112.688 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -69.96 -41.44 74.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.449 0.699 . . . . 0.0 111.771 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.26 -41.79 72.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.326 1.45 . . . . 0.0 111.405 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -63.53 -47.55 81.17 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.836 0.854 . . . . 0.0 112.467 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -57.43 -26.56 61.35 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.52 -10.74 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.236 1.814 . . . . 0.0 113.906 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.025 1.33 . . . . 0.0 111.794 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -57.51 -43.0 83.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.803 1.183 . . . . 0.0 111.216 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.32 -47.43 81.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.024 1.33 . . . . 0.0 112.573 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.41 -56.96 12.05 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.988 1.315 . . . . 0.0 111.198 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -45.06 68.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.736 2.014 . . . . 0.0 112.663 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -68.88 -39.13 79.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.8 -40.09 76.18 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.833 0.853 . . . . 0.0 112.414 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -38.6 56.19 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.434 1.494 . . . . 0.0 111.612 166.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -85.56 -26.41 26.18 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -69.07 -38.84 79.25 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.224 -0.922 . . . . 0.0 111.522 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.79 86.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.54 0.609 . . . . 0.0 110.592 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.0 tpt -63.87 -42.48 97.51 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.884 0.766 . . . . 0.0 112.369 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.59 -45.64 81.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.324 0.65 . . . . 0.0 111.643 168.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.26 -40.69 91.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.505 1.522 . . . . 0.0 113.829 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -59.67 -41.63 91.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.392 1.077 . . . . 0.0 112.56 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.32 -38.31 26.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.01 0.924 . . . . 0.0 112.987 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.2 65.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.658 -0.686 . . . . 0.0 112.029 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -59.29 -32.17 69.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.835 1.198 . . . . 0.0 113.14 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.12 -44.45 47.05 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.108 -0.995 . . . . 0.0 111.918 170.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -65.05 -27.86 69.08 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.593 1.157 . . . . 0.0 113.753 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.89 31.71 3.76 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.866 2.466 . . . . 0.0 112.58 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -13.58 3.78 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -169.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -58.7 127.25 82.19 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.376 1.07 . . . . 0.0 109.949 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.02 -26.39 73.84 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.797 2.332 . . . . 0.0 113.834 -171.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.0 -49.39 77.0 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.134 0.973 . . . . 0.0 112.261 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.584 ' HZ3' HD23 ' A' ' 4' ' ' LEU . 60.2 tttt -81.18 -40.34 24.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.15 1.78 . . . . 0.0 112.533 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -58.31 -24.61 60.16 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -98.2 5.84 48.06 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.68 -46.93 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.22 1.408 . . . . 0.0 110.51 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.6 OUTLIER -68.76 -19.3 64.32 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.654 1.115 . . . . 0.0 112.752 172.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.74 -41.31 95.11 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.99 -35.67 78.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.32 0.963 . . . . 0.0 112.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.95 -51.36 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.441 169.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.292 0.3 OUTLIER -61.17 -35.03 76.02 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.671 1.123 . . . . 0.0 112.391 -177.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.18 -40.16 78.27 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.114 -0.991 . . . . 0.0 112.928 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.03 -38.12 87.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.293 1.037 . . . . 0.0 112.112 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -70.97 -38.92 72.79 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.186 -0.946 . . . . 0.0 111.321 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.26 -38.02 73.25 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.505 -0.747 . . . . 0.0 111.661 171.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -67.36 -39.06 85.69 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -62.58 -45.95 90.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 119.809 1.186 . . . . 0.0 111.373 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.96 -39.89 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 112.12 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -55.48 -49.01 73.64 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.693 1.133 . . . . 0.0 111.811 172.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -72.31 -37.79 68.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.944 0.498 . . . . 0.0 112.011 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.76 -44.32 81.67 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.816 1.646 . . . . 0.0 112.443 172.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.59 -43.64 96.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.137 0.575 . . . . 0.0 112.094 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -61.87 -30.59 70.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.256 1.022 . . . . 0.0 112.526 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -86.95 -13.64 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.054 1.741 . . . . 0.0 113.441 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 t30 . . . . . 0 CA--C 1.545 0.788 0 C-N-CA 125.389 1.475 . . . . 0.0 111.821 -178.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -70.38 -40.14 74.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.558 0.743 . . . . 0.0 111.53 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.93 -40.04 87.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.766 1.226 . . . . 0.0 111.245 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 0.1 OUTLIER -63.02 -56.15 19.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.387 1.875 . . . . 0.0 111.376 175.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -41.62 68.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.378 2.271 . . . . 0.0 112.771 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.33 -47.55 70.17 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.88 -37.71 85.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.72 0.808 . . . . 0.0 112.324 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -37.67 70.23 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.81 1.644 . . . . 0.0 113.466 168.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -86.08 -20.94 28.0 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.27 -31.32 72.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 118.385 -0.816 . . . . 0.0 112.538 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.77 64.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.943 1.247 . . . . 0.0 111.837 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 mtp -63.17 -42.27 99.36 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.634 1.106 . . . . 0.0 112.694 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -64.34 -40.99 96.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.708 0.803 . . . . 0.0 111.159 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.4 -45.32 94.83 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.593 1.157 . . . . 0.0 112.375 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -61.46 -33.01 73.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.639 1.175 . . . . 0.0 113.279 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -39.99 73.9 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.149 1.38 . . . . 0.0 111.914 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -88.62 -37.83 15.31 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.734 1.214 . . . . 0.0 113.067 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -29.74 60.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.708 0.803 . . . . 0.0 112.253 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -57.79 -36.18 71.83 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.427 1.091 . . . . 0.0 113.093 170.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.2 -42.67 72.07 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.152 -0.968 . . . . 0.0 112.355 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -38.88 88.35 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 113.156 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.02 24.89 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.989 2.116 . . . . 0.0 114.29 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.81 1.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -68.48 131.43 91.62 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.927 1.691 . . . . 0.0 111.618 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.65 -28.78 77.07 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.257 2.638 . . . . 0.0 114.428 -167.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.76 -27.56 51.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.644 1.578 . . . . 0.0 114.449 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -31.77 5.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.636 1.975 . . . . 0.0 113.201 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.83 -29.54 62.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.888 0.875 . . . . 0.0 113.167 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -96.87 10.63 38.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.798 1.239 . . . . 0.0 114.076 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.08 -48.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.944 1.298 . . . . 0.0 110.21 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -22.48 64.86 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.498 1.044 . . . . 0.0 112.659 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.6 -33.46 75.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.035 0.934 . . . . 0.0 112.985 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -73.76 -37.09 65.14 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.438 -0.788 . . . . 0.0 112.351 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.42 -52.36 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 117.865 -1.064 . . . . 0.0 108.932 166.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -48.31 -42.18 30.31 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.138 1.335 . . . . 0.0 112.837 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.29 -39.16 82.18 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -68.51 -34.31 75.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.337 1.855 . . . . 0.0 113.134 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -39.11 23.34 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.436 1.894 . . . . 0.0 108.049 -169.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.81 -35.23 74.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 112.457 164.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -62.53 -42.48 99.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.52 -0.737 . . . . 0.0 111.847 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -61.64 -44.24 97.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.92 0.888 . . . . 0.0 111.364 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.15 -39.07 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 112.04 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.787 1.176 . . . . 0.0 112.802 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -72.3 -41.32 66.76 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.557 0.743 . . . . 0.0 111.468 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.53 -39.25 70.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.939 1.696 . . . . 0.0 112.307 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.92 -47.18 81.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.929 0.892 . . . . 0.0 112.048 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -17.88 64.28 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.4 mt -91.18 -13.97 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.52 1.928 . . . . 0.0 113.468 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 CA--C 1.553 1.061 0 C-N-CA 124.923 1.289 . . . . 0.0 113.842 -170.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -60.92 -33.95 73.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.964 1.256 . . . . 0.0 112.081 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.78 -48.58 66.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.303 1.441 . . . . 0.0 112.197 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.69 -51.16 36.97 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.609 1.564 . . . . 0.0 112.274 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -40.94 60.24 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.516 1.927 . . . . 0.0 112.314 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -60.56 -52.36 65.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.07 -36.34 81.81 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.838 0.855 . . . . 0.0 111.779 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.2 -34.77 61.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.015 164.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -93.24 -21.75 19.43 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.188 -0.945 . . . . 0.0 111.501 170.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.35 92.33 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.612 0.642 . . . . 0.0 110.369 169.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -60.43 -42.02 95.2 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.324 1.05 . . . . 0.0 112.841 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -40.47 86.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.385 -0.822 . . . . 0.0 112.838 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.88 -44.35 94.24 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -59.42 -42.01 90.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.163 2.185 . . . . 0.0 113.589 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -59.74 -42.85 94.09 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.347 1.059 . . . . 0.0 112.329 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.73 -33.94 27.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.979 0.912 . . . . 0.0 112.806 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.76 71.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.241 1.016 . . . . 0.0 111.186 168.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -57.56 -32.71 67.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.266 1.026 . . . . 0.0 113.186 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.46 -44.74 70.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.284 -0.885 . . . . 0.0 112.249 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -65.78 -41.67 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.26 0.624 . . . . 0.0 112.3 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.62 28.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.789 2.436 . . . . 0.0 113.496 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -14.1 45.07 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.63 126.76 83.64 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.288 1.035 . . . . 0.0 109.754 167.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.33 -18.59 55.55 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.065 2.51 . . . . 0.0 114.229 -168.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -62.02 -56.28 20.6 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.351 0.978 . . . . 0.0 110.649 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -69.34 -40.72 77.38 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.349 1.46 . . . . 0.0 112.248 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -57.78 -20.83 38.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.742 1.217 . . . . 0.0 113.683 173.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -105.69 8.83 33.2 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.787 1.235 . . . . 0.0 113.967 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.1 t -114.31 -44.44 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.327 1.451 . . . . 0.0 110.811 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -17.37 62.48 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.868 1.213 . . . . 0.0 112.171 172.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -36.85 83.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.314 1.046 . . . . 0.0 113.255 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.16 -40.09 78.38 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.825 -0.547 . . . . 0.0 111.965 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 65.3 mt -65.27 -46.5 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.79 171.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.86 -42.79 65.55 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.617 1.098 . . . . 0.0 112.491 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -69.86 -40.66 75.62 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.81 -39.63 89.68 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.539 1.135 . . . . 0.0 112.306 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -73.84 -37.35 64.85 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.026 -1.046 . . . . 0.0 111.322 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.61 -36.98 77.37 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.653 -0.654 . . . . 0.0 111.553 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -62.71 -43.72 98.08 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.87 0.868 . . . . 0.0 112.275 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -63.47 -46.26 87.0 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.4 1.0 . . . . 0.0 111.989 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.21 -39.64 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.829 0.852 . . . . 0.0 112.178 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.7 -43.97 90.18 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.865 1.211 . . . . 0.0 112.932 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -74.29 -39.27 63.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.52 0.728 . . . . 0.0 111.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.28 -41.23 72.0 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.336 1.454 . . . . 0.0 111.817 171.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.71 -46.81 80.74 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -21.46 66.75 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 29.2 mm -92.92 -18.48 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.856 1.662 . . . . 0.0 113.594 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 124.116 0.967 . . . . 0.0 111.907 176.414 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.96 -36.33 83.61 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.587 1.085 . . . . 0.0 111.227 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.04 -41.38 74.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.363 1.465 . . . . 0.0 112.051 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.55 HD22 HD12 ' B' ' 17' ' ' LEU . 69.5 mt -73.26 -53.38 11.02 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.793 0.837 . . . . 0.0 111.823 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.83 -40.69 10.16 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.434 2.294 . . . . 0.0 112.407 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -70.29 -50.5 38.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -30.78 71.62 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.89 -40.37 80.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.174 1.389 . . . . 0.0 111.039 164.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -75.82 -23.63 55.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.22 -33.68 76.37 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 111.855 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.63 84.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.535 167.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mmt -61.9 -41.28 97.71 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.553 1.069 . . . . 0.0 113.708 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.6 -38.68 87.5 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.526 -0.734 . . . . 0.0 111.659 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' B' ' 7' ' ' LEU . 1.8 mt -60.74 -43.21 98.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 167.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.9 -32.53 74.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.69 1.596 . . . . 0.0 113.798 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -58.03 -44.84 87.59 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.651 1.114 . . . . 0.0 112.149 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.63 -37.16 50.68 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.01 65.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.254 1.022 . . . . 0.0 112.496 172.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -62.42 -35.74 80.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 112.97 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.95 -38.37 53.44 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.836 -1.165 . . . . 0.0 112.652 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -60.97 -34.83 75.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.062 0.945 . . . . 0.0 112.221 171.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.92 -66.53 0.56 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.546 1.139 . . . . 0.0 112.324 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 41.51 27.63 0.06 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.161 2.184 . . . . 0.0 115.153 -167.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -128.58 132.24 24.24 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.353 1.861 . . . . 0.0 110.398 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.35 -19.78 32.88 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.118 2.545 . . . . 0.0 114.461 -167.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.92 -55.92 12.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.548 1.067 . . . . 0.0 110.546 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HE2' HG12 ' B' ' 51' ' ' ILE . 5.0 tmtt? -61.99 -38.63 89.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.355 1.462 . . . . 0.0 111.794 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -64.44 -4.58 4.08 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -118.27 13.7 13.73 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.383 1.473 . . . . 0.0 113.168 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -114.92 -50.26 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.577 1.551 . . . . 0.0 110.151 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -21.93 63.96 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.326 0.966 . . . . 0.0 112.038 174.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -66.16 -33.84 76.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.897 1.279 . . . . 0.0 112.287 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -75.6 -35.15 60.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.633 -0.667 . . . . 0.0 112.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.593 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.7 mt -61.26 -51.43 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.647 0.779 . . . . 0.0 109.5 163.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.98 -41.33 62.07 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.472 1.487 . . . . 0.0 112.942 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.86 -41.54 78.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.526 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 29.7 m-20 -61.57 -39.55 91.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 112.305 171.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -77.24 -33.78 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 111.179 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.43 -36.91 79.31 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.096 -1.002 . . . . 0.0 111.767 167.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -60.33 -43.0 96.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.995 0.918 . . . . 0.0 111.969 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 49.7 m170 -62.58 -43.68 98.21 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 111.631 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.98 -40.71 81.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.243 1.017 . . . . 0.0 112.225 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.31 -43.41 88.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.908 1.231 . . . . 0.0 112.738 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.831 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 24.5 m0 -72.0 -42.08 66.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.582 0.753 . . . . 0.0 111.656 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.18 -43.23 78.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.632 1.573 . . . . 0.0 112.203 173.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.73 -40.93 88.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.682 0.793 . . . . 0.0 112.186 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -61.49 -31.49 71.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.811 0.844 . . . . 0.0 112.751 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -83.56 -19.38 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.533 1.533 . . . . 0.0 113.65 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.549 0.926 0 C-N-CA 124.454 1.101 . . . . 0.0 111.745 176.754 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -27.51 68.7 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.439 1.472 . . . . 0.0 113.619 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.88 -33.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.411 1.085 . . . . 0.0 113.507 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.518 ' CD2' HD21 ' A' ' 17' ' ' LEU . 10.0 mt -77.02 -50.02 14.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.527 0.731 . . . . 0.0 109.885 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -44.17 44.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 128.96 2.904 . . . . 0.0 113.386 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -71.66 -45.32 62.33 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.5 -33.39 74.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.595 1.158 . . . . 0.0 113.269 168.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.93 -37.87 69.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.05 0.94 . . . . 0.0 112.508 163.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -83.28 -20.85 33.67 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.93 -36.07 82.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.574 1.079 . . . . 0.0 111.932 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.92 86.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.716 0.689 . . . . 0.0 110.373 171.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -39.02 93.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.157 0.983 . . . . 0.0 113.038 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -64.36 -42.05 96.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.258 1.423 . . . . 0.0 112.429 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.55 HD12 HD22 ' A' ' 7' ' ' LEU . 4.7 mt -57.99 -47.17 83.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.865 0.866 . . . . 0.0 111.176 169.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -64.03 -36.42 83.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.985 1.714 . . . . 0.0 114.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -55.19 -46.62 75.87 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.363 1.065 . . . . 0.0 112.453 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -82.54 -38.03 24.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.61 0.764 . . . . 0.0 112.604 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.86 -40.21 66.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.57 -29.05 64.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.678 1.126 . . . . 0.0 114.017 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.28 -50.4 16.19 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.052 1.296 . . . . 0.0 111.7 169.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -65.63 -19.53 65.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.752 1.221 . . . . 0.0 114.016 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.76 28.21 8.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.713 2.405 . . . . 0.0 112.843 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -19.7 1.34 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -59.45 130.02 87.32 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.963 1.705 . . . . 0.0 112.04 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.29 -27.07 41.17 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.847 2.365 . . . . 0.0 114.328 -165.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.25 -46.91 65.98 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.71 0.804 . . . . 0.0 112.639 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -81.67 -44.57 16.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.552 1.941 . . . . 0.0 111.384 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -60.89 -18.95 59.34 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -106.5 7.8 31.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.955 1.302 . . . . 0.0 114.381 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.98 -47.99 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.115 1.366 . . . . 0.0 110.432 171.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -24.02 66.83 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.564 1.075 . . . . 0.0 112.651 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -65.44 -35.66 81.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.851 0.86 . . . . 0.0 112.454 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.61 -42.1 82.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.831 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 85.8 mt -63.18 -47.43 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.933 0.893 . . . . 0.0 109.201 170.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.64 -40.05 71.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.772 1.169 . . . . 0.0 113.477 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.92 -31.4 70.27 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.599 1.091 . . . . 0.0 113.575 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.422 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 13.2 m-20 -71.66 -38.53 70.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.686 1.195 . . . . 0.0 112.359 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.616 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 48.2 mm-40 -74.74 -37.84 62.4 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.866 -1.147 . . . . 0.0 111.129 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.12 -33.84 72.68 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.408 -0.807 . . . . 0.0 111.779 172.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.05 -43.36 87.69 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.74 0.816 . . . . 0.0 112.069 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.526 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 54.1 m170 -60.65 -41.46 94.99 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.131 0.972 . . . . 0.0 111.917 174.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.57 -42.2 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.293 1.037 . . . . 0.0 112.029 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.14 -41.1 96.11 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.285 -0.884 . . . . 0.0 112.942 174.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . 0.593 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 41.8 m0 -73.12 -34.95 66.44 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.9 0.88 . . . . 0.0 111.417 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -47.94 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.544 1.137 . . . . 0.0 112.845 175.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -18.9 64.13 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.438 1.095 . . . . 0.0 113.654 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -90.49 -30.9 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.094 1.358 . . . . 0.0 111.232 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.515 HG12 ' HE2' ' A' ' 30' ' ' LYS . 51.5 mt -70.11 -30.57 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.652 1.581 . . . . 0.0 111.584 168.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.552 1.053 0 C-N-CA 124.312 1.045 . . . . 0.0 111.541 175.561 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -61.1 -32.97 72.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.847 1.659 . . . . 0.0 111.959 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.62 -55.35 35.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.278 1.831 . . . . 0.0 111.925 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.52 -44.5 74.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.069 1.347 . . . . 0.0 112.893 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.09 -39.07 8.82 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.956 2.102 . . . . 0.0 112.498 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -64.59 -56.42 14.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.797 0.839 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.57 -33.49 76.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.873 0.869 . . . . 0.0 112.951 173.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.87 -41.56 70.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.64 1.176 . . . . 0.0 111.463 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -83.06 -19.25 37.21 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -68.84 -36.47 78.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.408 1.004 . . . . 0.0 111.769 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.31 70.16 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.053 0.842 . . . . 0.0 110.748 170.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mmm -57.18 -45.81 83.37 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -69.58 -33.32 72.56 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.014 -1.054 . . . . 0.0 112.169 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 HD13 HD11 ' B' ' 7' ' ' LEU . 8.0 mt -62.0 -46.82 87.55 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.895 167.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.11 -37.41 74.52 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.818 1.647 . . . . 0.0 113.317 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -60.42 -24.09 64.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.203 1.801 . . . . 0.0 114.605 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -112.4 -35.38 5.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.256 1.423 . . . . 0.0 111.889 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.86 25.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.512 1.525 . . . . 0.0 112.986 163.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -57.24 -40.91 78.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.837 0.855 . . . . 0.0 113.006 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -76.08 -36.56 58.9 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.058 -1.026 . . . . 0.0 112.636 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.93 -35.47 80.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.369 1.067 . . . . 0.0 113.256 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.58 -63.98 0.99 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.426 1.09 . . . . 0.0 112.053 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 45.26 22.5 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.998 2.119 . . . . 0.0 115.608 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -125.55 132.43 24.31 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.65 1.58 . . . . 0.0 109.891 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.19 -22.35 34.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.788 2.325 . . . . 0.0 114.347 -161.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.83 -51.31 62.78 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.827 0.74 . . . . 0.0 111.132 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -42.42 97.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.341 1.056 . . . . 0.0 111.055 172.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.93 1.79 2.43 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m -126.72 22.11 6.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.184 1.794 . . . . 0.0 111.977 166.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.64 -55.66 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.016 2.126 . . . . 0.0 109.24 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -21.65 64.89 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.293 0.951 . . . . 0.0 110.958 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -65.87 -33.34 75.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.394 1.077 . . . . 0.0 112.723 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.64 -40.44 63.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.228 1.011 . . . . 0.0 111.772 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.438 HG13 ' CD2' ' B' ' 44' ' ' HIS . 2.4 mt -59.22 -52.53 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.142 164.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.65 -38.57 69.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.327 1.876 . . . . 0.0 113.237 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.27 -31.16 72.25 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.411 1.005 . . . . 0.0 113.526 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.23 -23.26 35.46 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 113.551 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -104.12 -23.86 13.24 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.478 -1.389 . . . . 0.0 108.568 -160.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -42.36 76.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.55 1.54 . . . . 0.0 112.902 149.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -62.79 -40.94 98.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.426 1.09 . . . . 0.0 112.355 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' B' ' 37' ' ' ILE . 61.9 m170 -63.86 -40.15 95.87 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.69 -39.29 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.02 0.928 . . . . 0.0 111.635 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.98 -44.63 94.37 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.655 1.116 . . . . 0.0 112.261 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.729 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 40.5 m0 -69.88 -42.86 72.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.603 0.761 . . . . 0.0 111.782 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -53.86 -42.29 68.4 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.695 1.598 . . . . 0.0 111.89 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.38 -38.96 88.71 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 m -64.99 -30.4 71.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.986 0.812 . . . . 0.0 112.18 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.56 -16.94 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.596 1.558 . . . . 0.0 113.53 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 CA--C 1.552 1.032 0 C-N-CA 125.409 1.484 . . . . 0.0 112.829 179.256 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.477 HD11 ' H ' ' B' ' 5' ' ' ARG 0.291 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 . . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.477 ' H ' HD11 ' B' ' 4' ' ' LEU . 26.6 mtt85 -57.32 -37.85 73.14 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.502 1.501 . . . . 0.0 112.179 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.415 ' HG2' HD11 ' A' ' 17' ' ' LEU . 17.7 tt0 -57.14 -43.83 82.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.736 0.814 . . . . 0.0 112.43 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.418 HD11 HD13 ' A' ' 17' ' ' LEU . 10.7 mp -70.42 -57.57 4.67 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.363 1.465 . . . . 0.0 112.165 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -44.88 62.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.92 2.088 . . . . 0.0 112.274 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -65.88 -44.35 85.63 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt -68.06 -38.86 82.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.211 0.914 . . . . 0.0 113.286 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.01 -36.8 41.34 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.598 1.159 . . . . 0.0 111.315 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -84.82 -26.93 27.13 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.56 -35.47 79.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.894 1.224 . . . . 0.0 111.504 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.95 87.41 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.552 0.615 . . . . 0.0 110.753 168.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -38.67 88.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.112 0.869 . . . . 0.0 112.923 176.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -71.47 -39.47 70.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.568 0.747 . . . . 0.0 112.145 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -58.01 -48.08 81.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.66 0.784 . . . . 0.0 111.646 167.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.1 -42.19 69.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.497 . . . . 0.0 114.843 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -63.21 -42.01 99.23 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.079 1.309 . . . . 0.0 112.85 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.35 -39.56 65.11 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.087 0.47 . . . . 0.0 112.018 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.69 63.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.987 166.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -58.52 -29.46 66.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -76.42 -49.19 17.32 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.599 1.545 . . . . 0.0 110.909 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -63.52 -36.7 84.66 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.352 1.061 . . . . 0.0 112.585 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.34 33.41 1.78 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.916 2.486 . . . . 0.0 112.429 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -20.77 0.97 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.695 1.998 . . . . 0.0 115.995 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.04 136.11 96.6 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 126.054 1.742 . . . . 0.0 112.053 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.09 -22.12 62.21 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.144 2.563 . . . . 0.0 114.67 -170.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.17 -45.99 90.94 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.038 0.835 . . . . 0.0 112.937 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -81.94 -43.13 18.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.981 1.312 . . . . 0.0 111.39 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.22 -13.15 16.24 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -111.23 6.22 20.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.642 1.177 . . . . 0.0 114.031 172.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.95 -48.74 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.782 1.633 . . . . 0.0 109.989 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -21.49 61.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.189 0.904 . . . . 0.0 112.192 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -66.81 -36.76 83.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.11 0.868 . . . . 0.0 111.937 176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -65.49 -41.74 92.94 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.81 1.244 . . . . 0.0 112.74 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.729 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 84.7 mt -62.13 -46.87 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.983 0.913 . . . . 0.0 109.731 167.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -39.74 49.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.526 1.057 . . . . 0.0 113.028 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.66 -39.73 66.9 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.47 -40.49 94.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 112.238 171.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -76.49 -34.63 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.41 -0.806 . . . . 0.0 111.054 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.87 -37.05 73.24 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.785 -0.572 . . . . 0.0 111.562 167.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -66.94 -39.79 87.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.598 0.759 . . . . 0.0 112.858 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.438 ' CD2' HG13 ' A' ' 37' ' ' ILE . 49.9 m170 -61.7 -52.73 63.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 119.468 1.031 . . . . 0.0 111.208 175.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mm -54.37 -41.52 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 126.258 1.823 . . . . 0.0 113.316 172.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.4 -46.27 76.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.929 1.241 . . . . 0.0 112.579 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -74.17 -43.83 55.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.326 0.65 . . . . 0.0 110.945 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.89 -40.41 56.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.074 1.35 . . . . 0.0 112.316 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -65.66 -47.21 76.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -15.65 62.77 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.46 -12.26 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.706 2.002 . . . . 0.0 113.661 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 124.652 1.181 . . . . 0.0 111.685 168.022 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.45 -30.53 68.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.302 1.041 . . . . 0.0 112.133 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -65.16 -43.03 93.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.398 0.679 . . . . 0.0 111.317 171.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.94 -51.68 68.65 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.873 0.469 . . . . 0.0 111.595 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.21 -43.22 31.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.287 2.235 . . . . 0.0 112.435 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -65.02 -51.33 62.18 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.31 -35.18 79.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 171.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.73 -35.07 68.13 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.179 1.392 . . . . 0.0 112.321 166.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -85.06 -17.61 36.89 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.98 -35.29 80.19 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.409 -1.432 . . . . 0.0 111.672 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -28.56 67.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.516 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpt -77.41 -39.53 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.489 1.116 . . . . 0.0 111.043 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -60.42 -44.95 95.25 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.249 1.02 . . . . 0.0 112.114 168.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.82 -47.7 83.89 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.035 0.534 . . . . 0.0 111.95 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.88 -30.92 70.44 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -24.7 63.13 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 171.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.94 -35.68 7.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.834 1.254 . . . . 0.0 112.565 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.89 73.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.246 0.619 . . . . 0.0 111.605 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 t -58.37 -34.82 71.11 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 114.082 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.04 -45.25 70.9 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.122 -0.986 . . . . 0.0 111.555 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.79 -39.08 90.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.23 0.612 . . . . 0.0 112.009 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 33.63 0.19 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.257 2.223 . . . . 0.0 113.559 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -18.3 47.06 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.343 -1.473 . . . . 0.0 113.774 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.45 126.35 90.41 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.228 1.411 . . . . 0.0 110.714 171.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.9 -17.8 46.73 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 114.356 -170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -65.33 -54.93 21.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.052 0.842 . . . . 0.0 110.483 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.36 90.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.018 1.327 . . . . 0.0 111.924 172.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.26 4.42 0.96 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -121.89 9.68 10.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.466 1.506 . . . . 0.0 112.965 165.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.79 -53.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.018 1.727 . . . . 0.0 110.267 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -21.52 66.01 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.488 1.04 . . . . 0.0 111.797 172.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.92 -33.21 74.25 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.264 -0.897 . . . . 0.0 112.499 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -71.43 -40.61 70.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.168 0.987 . . . . 0.0 111.989 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.08 -55.73 16.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 118.107 -0.949 . . . . 0.0 108.603 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.73 -31.65 68.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.442 1.473 . . . . 0.0 114.652 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.32 -39.25 74.87 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.788 1.176 . . . . 0.0 112.959 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.662 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 9.7 m-20 -63.91 -36.26 83.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.234 1.414 . . . . 0.0 112.249 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -81.0 -34.56 32.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.71 1.204 . . . . 0.0 111.451 -167.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.4 -35.45 77.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.361 1.065 . . . . 0.0 111.745 163.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -61.96 -37.24 84.0 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.236 -0.915 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.555 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -62.56 -43.07 99.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.473 1.109 . . . . 0.0 112.127 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.06 -41.7 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.764 1.226 . . . . 0.0 112.136 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.65 -41.77 86.81 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.244 0.929 . . . . 0.0 112.327 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.3 m0 -73.59 -42.89 60.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.57 0.748 . . . . 0.0 111.683 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.0 -40.48 70.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.289 1.436 . . . . 0.0 112.046 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -70.65 -43.64 68.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -23.66 66.72 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.96 -15.73 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.029 1.731 . . . . 0.0 113.333 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 123.773 0.829 . . . . 0.0 112.452 172.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.954 -0.546 . . . . 0.0 112.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -65.83 -36.32 83.13 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.362 0.983 . . . . 0.0 112.246 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.72 -38.39 84.92 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.329 1.052 . . . . 0.0 112.681 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.47 -53.43 28.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 111.078 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -41.9 91.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 128.103 2.561 . . . . 0.0 113.183 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -63.48 -52.67 60.36 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.56 -36.81 79.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.923 0.889 . . . . 0.0 112.992 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.47 -32.95 70.72 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.568 1.147 . . . . 0.0 113.741 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.42 -16.69 24.3 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.969 1.713 . . . . 0.0 115.263 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.74 -39.48 70.03 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 111.158 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.88 84.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ttm -64.6 -44.21 91.32 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.09 -41.02 97.77 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.35 -0.844 . . . . 0.0 112.071 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.77 -46.61 77.88 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 168.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.25 -36.13 81.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.168 1.787 . . . . 0.0 113.916 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -61.54 -45.15 95.39 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.821 1.191 . . . . 0.0 112.903 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.33 -36.44 53.88 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.709 -0.619 . . . . 0.0 112.384 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.94 -38.75 65.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.797 0.839 . . . . 0.0 111.608 166.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -57.8 -33.06 68.16 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -67.82 -37.51 82.04 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.992 -1.068 . . . . 0.0 112.465 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -70.2 -46.79 63.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.523 1.129 . . . . 0.0 111.581 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 22.38 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.975 2.51 . . . . 0.0 114.73 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -27.37 1.08 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.349 2.659 . . . . 0.0 115.265 170.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -69.79 127.19 92.7 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.406 1.082 . . . . 0.0 109.81 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.46 -26.41 62.72 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.782 2.321 . . . . 0.0 114.093 -162.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.02 -50.72 71.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.496 1.118 . . . . 0.0 112.712 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.14 63.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.687 1.195 . . . . 0.0 111.957 172.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.27 -33.23 65.27 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.212 0.915 . . . . 0.0 113.18 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -89.84 2.84 54.48 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.26 -50.17 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.053 1.341 . . . . 0.0 110.219 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -70.69 -19.9 62.73 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.703 1.138 . . . . 0.0 112.607 175.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.93 -34.56 77.73 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.314 0.961 . . . . 0.0 112.788 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.95 -44.48 92.69 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.131 -0.981 . . . . 0.0 112.036 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.602 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 73.8 mt -63.38 -47.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.076 172.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.83 -42.47 65.18 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.097 1.317 . . . . 0.0 113.11 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.61 -37.07 65.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.823 1.192 . . . . 0.0 113.443 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 27.7 m-20 -63.26 -42.35 99.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.659 1.184 . . . . 0.0 112.199 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.503 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 32.0 mm-40 -73.36 -37.3 66.11 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.422 -0.799 . . . . 0.0 110.134 -177.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.27 -37.65 78.18 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.968 -1.082 . . . . 0.0 111.583 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -61.29 -43.05 99.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.1 0.96 . . . . 0.0 112.135 172.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.662 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.7 m170 -62.15 -43.74 98.16 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 119.281 0.946 . . . . 0.0 111.501 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.02 -42.24 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.533 1.133 . . . . 0.0 111.753 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -54.61 -45.29 73.66 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.077 0.853 . . . . 0.0 112.102 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -76.24 -38.45 56.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.619 0.768 . . . . 0.0 112.307 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.85 -43.68 77.31 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.358 1.463 . . . . 0.0 112.361 173.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.61 -27.01 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -83.16 -26.57 30.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 111.493 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -86.57 -22.14 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 125.474 1.51 . . . . 0.0 112.268 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.551 1.001 0 C-N-CA 125.396 1.478 . . . . 0.0 111.985 170.727 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -62.48 -41.58 98.89 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.107 1.363 . . . . 0.0 111.35 170.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.97 -38.9 90.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.602 1.161 . . . . 0.0 112.326 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 81.9 mt -65.85 -52.37 50.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.837 0.855 . . . . 0.0 111.608 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.21 -41.23 49.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.148 2.179 . . . . 0.0 112.967 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -63.17 -58.23 7.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.593 HD12 ' CD1' ' B' ' 17' ' ' LEU . 4.9 mp -59.75 -34.18 72.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.79 -37.68 74.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.118 1.367 . . . . 0.0 113.191 167.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -87.45 -11.7 48.28 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HB3' HD21 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -72.39 -34.66 68.07 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 120.72 -1.237 . . . . 0.0 110.755 174.113 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.23 91.97 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.235 167.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -60.92 -46.05 92.2 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.638 1.108 . . . . 0.0 113.441 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.93 -40.58 98.08 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.428 -0.795 . . . . 0.0 112.355 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' HD11 ' B' ' 10' ' ' LEU . 4.6 mt -61.25 -46.72 89.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.511 0.724 . . . . 0.0 112.304 171.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.01 -32.09 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.185 1.794 . . . . 0.0 113.308 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -61.91 -15.44 43.01 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.86 -40.82 3.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.15 1.38 . . . . 0.0 112.281 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -35.34 65.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.429 0.692 . . . . 0.0 112.121 168.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -61.08 -33.31 73.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.429 1.092 . . . . 0.0 113.466 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.97 -46.14 62.86 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.222 -0.924 . . . . 0.0 111.674 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -65.32 -40.65 94.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.797 0.839 . . . . 0.0 112.548 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.54 30.74 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.247 1.819 . . . . 0.0 113.891 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -13.96 16.43 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.2 130.74 94.88 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.918 1.287 . . . . 0.0 110.743 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.68 -23.21 69.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.232 2.621 . . . . 0.0 114.462 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.98 -27.26 68.73 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.852 1.261 . . . . 0.0 113.749 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -117.95 -29.64 5.59 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.272 1.829 . . . . 0.0 113.464 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.06 -26.8 60.97 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.542 1.137 . . . . 0.0 113.619 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m -99.43 6.25 46.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.762 1.225 . . . . 0.0 114.044 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.56 -45.39 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.911 1.285 . . . . 0.0 110.35 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.65 -22.01 65.33 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.598 1.09 . . . . 0.0 112.069 172.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.51 -31.3 72.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.813 0.845 . . . . 0.0 112.773 172.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.83 -38.54 64.49 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 112.241 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.06 -50.56 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.403 163.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.77 -39.99 65.87 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.334 1.425 . . . . 0.0 113.329 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.67 -40.07 80.3 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.15 -40.04 94.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.615 1.166 . . . . 0.0 112.083 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.96 -35.22 64.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.32 -38.59 80.66 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 111.827 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -66.48 -37.96 86.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.275 0.63 . . . . 0.0 112.612 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 53.6 m170 -62.41 -45.04 94.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.309 -0.87 . . . . 0.0 111.578 172.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.37 -38.82 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.162 0.985 . . . . 0.0 112.175 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.59 -47.96 75.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.85 1.204 . . . . 0.0 112.026 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -72.57 -42.02 65.06 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.054 -0.404 . . . . 0.0 111.812 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.95 -42.18 72.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.2 1.4 . . . . 0.0 112.009 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.82 -48.45 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.59 0.756 . . . . 0.0 112.632 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -56.29 -31.35 63.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.843 1.257 . . . . 0.0 113.227 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.8 mm -86.18 -15.6 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.787 1.635 . . . . 0.0 113.524 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t30 . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 125.805 1.642 . . . . 0.0 111.783 -176.804 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -35.99 41.85 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.445 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.0 tp10 -52.98 -40.03 63.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.043 2.137 . . . . 0.0 112.79 168.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.53 -62.08 1.9 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.012 0.925 . . . . 0.0 110.892 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.27 -43.3 70.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.39 2.276 . . . . 0.0 112.571 -173.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.18 -49.09 75.66 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 17' ' ' LEU . 17.5 mt -68.7 -35.27 76.95 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.611 0.641 . . . . 0.0 112.132 176.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.11 -38.86 68.7 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.652 1.581 . . . . 0.0 112.422 165.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -85.51 -29.57 24.13 Favored 'General case' 0 C--N 1.344 0.369 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -65.67 -34.91 79.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.614 -0.679 . . . . 0.0 111.822 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.451 0.569 . . . . 0.0 110.197 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 26.4 mmm -62.88 -41.16 99.31 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -64.3 -40.42 95.91 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.593 ' CD1' HD12 ' A' ' 10' ' ' LEU . 5.2 mt -58.46 -41.89 86.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.907 0.883 . . . . 0.0 112.228 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.45 -34.72 76.47 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 112.593 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -59.79 -46.91 87.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.657 1.183 . . . . 0.0 112.2 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.16 -40.93 51.34 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -30.55 61.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.445 0.698 . . . . 0.0 112.064 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 t -67.32 -28.29 67.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.368 0.985 . . . . 0.0 113.566 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -74.65 -43.28 56.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.288 -1.508 . . . . 0.0 111.644 165.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -68.14 -19.61 64.83 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.52 36.4 3.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.338 2.655 . . . . 0.0 111.617 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -52.35 -22.72 4.87 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -52.16 128.97 40.21 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.632 2.373 . . . . 0.0 111.798 171.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -65.89 -22.39 56.12 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.655 2.237 . . . . 0.0 113.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.68 75.76 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 112.481 173.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.33 -36.87 9.85 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 113.122 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -66.05 3.84 0.78 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.94 1.696 . . . . 0.0 115.063 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.3 m -124.86 13.35 8.52 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.916 1.687 . . . . 0.0 113.498 167.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -115.5 -49.69 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.695 1.598 . . . . 0.0 109.969 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -21.5 61.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.557 1.071 . . . . 0.0 112.299 174.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -61.1 -32.84 72.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.802 1.241 . . . . 0.0 112.301 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.26 -40.0 62.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.597 -0.689 . . . . 0.0 112.113 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.1 -52.87 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.186 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.296 0.6 OUTLIER -61.55 -30.67 70.8 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.058 1.299 . . . . 0.0 112.898 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.2 -40.86 70.92 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.039 -1.038 . . . . 0.0 113.268 172.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -61.67 -38.75 88.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.822 1.249 . . . . 0.0 112.287 171.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.407 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 53.3 mm-40 -75.09 -37.84 61.41 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.142 -0.974 . . . . 0.0 111.351 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.44 -36.83 69.44 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.321 -0.862 . . . . 0.0 111.455 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.819 0.848 . . . . 0.0 112.265 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -62.72 -38.07 89.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.116 0.966 . . . . 0.0 112.888 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.98 -42.35 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.098 0.959 . . . . 0.0 111.027 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -61.33 -42.05 98.03 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.641 -0.662 . . . . 0.0 112.221 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -70.32 -36.97 74.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.874 0.869 . . . . 0.0 111.921 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -47.64 84.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.06 1.344 . . . . 0.0 111.732 173.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.81 -42.37 97.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.198 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -35.73 75.94 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.73 -14.34 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.953 1.701 . . . . 0.0 112.89 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 CA--C 1.553 1.075 0 C-N-CA 126.158 1.783 . . . . 0.0 112.718 -176.357 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.537 0.481 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -31.14 68.75 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.651 1.18 . . . . 0.0 111.071 176.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.69 -40.64 95.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.536 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.749 HD22 HD12 ' B' ' 17' ' ' LEU . 49.6 mt -65.23 -50.08 67.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.859 0.864 . . . . 0.0 111.76 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.42 -40.84 12.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.217 2.607 . . . . 0.0 113.475 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.26 -53.92 25.62 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.01 -36.16 76.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.742 0.817 . . . . 0.0 112.574 170.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.51 -38.54 77.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 0.0 112.93 170.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -85.44 -23.31 27.93 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -62.48 -31.22 71.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.599 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.79 -46.88 62.05 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 119.067 0.849 . . . . 0.0 110.506 171.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.3 mmm -54.59 -43.39 72.08 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.638 1.108 . . . . 0.0 112.704 174.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.81 -38.06 76.47 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.709 -0.62 . . . . 0.0 111.937 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 3.6 mt -62.95 -38.99 93.28 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.387 0.675 . . . . 0.0 112.002 169.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -64.76 -35.68 81.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.802 1.641 . . . . 0.0 112.803 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -62.37 -42.58 99.53 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.864 0.865 . . . . 0.0 112.845 171.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.91 -43.2 36.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.966 0.906 . . . . 0.0 112.84 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.74 67.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.135 0.974 . . . . 0.0 111.648 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -63.82 -34.48 78.0 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.29 0.95 . . . . 0.0 112.834 173.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.15 -43.71 73.74 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.202 -0.937 . . . . 0.0 111.385 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -65.76 -18.98 65.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.371 1.468 . . . . 0.0 114.504 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.02 36.91 4.51 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.137 2.175 . . . . 0.0 111.959 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -50.95 -21.42 1.74 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.06 130.71 92.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.267 1.827 . . . . 0.0 111.352 173.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -63.19 -23.61 72.78 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.911 2.407 . . . . 0.0 114.027 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.54 -24.27 55.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.966 2.106 . . . . 0.0 113.965 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -36.62 3.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 113.23 170.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.93 -16.44 29.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -107.53 9.89 29.41 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.499 1.12 . . . . 0.0 113.917 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -115.76 -46.54 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.489 1.516 . . . . 0.0 110.451 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -18.91 62.39 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.242 0.928 . . . . 0.0 111.44 171.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.07 -36.71 83.93 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.411 -0.806 . . . . 0.0 112.318 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -72.09 -31.83 66.44 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.081 -1.012 . . . . 0.0 112.234 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.8 -56.82 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 117.388 -1.292 . . . . 0.0 109.272 163.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.326 1.0 OUTLIER -60.99 -24.79 66.4 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 121.469 1.94 . . . . 0.0 113.35 -175.028 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.71 -36.73 42.97 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.631 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -62.19 -40.9 97.6 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.382 1.473 . . . . 0.0 111.907 165.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -82.9 -33.09 26.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.892 -166.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.53 -31.17 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.561 1.144 . . . . 0.0 112.622 163.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -38.47 89.13 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.916 0.78 . . . . 0.0 111.947 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.743 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 46.8 m170 -61.17 -37.83 84.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.298 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.23 -37.72 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.87 0.868 . . . . 0.0 110.835 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.93 -42.86 94.86 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.658 1.117 . . . . 0.0 112.129 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 20.3 m0 -70.96 -45.04 64.82 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.366 0.666 . . . . 0.0 111.446 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.5 -40.88 68.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.193 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.97 -44.39 76.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.658 0.783 . . . . 0.0 112.833 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -20.41 66.24 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.7 mt -93.09 -18.4 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.251 1.82 . . . . 0.0 113.042 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.976 1.31 . . . . 0.0 112.028 170.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -67.16 -28.99 68.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.913 0.885 . . . . 0.0 111.864 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.381 1.472 . . . . 0.0 112.494 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 96.1 mt -58.74 -56.05 27.22 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.825 1.25 . . . . 0.0 111.514 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -46.31 60.57 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.85 2.46 . . . . 0.0 112.506 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.62 -44.59 93.47 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -66.87 -38.33 86.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.89 0.768 . . . . 0.0 112.472 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -28.04 58.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.464 1.505 . . . . 0.0 113.123 167.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -95.64 -20.31 19.05 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.26 -34.46 77.48 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.837 -1.165 . . . . 0.0 112.227 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.2 98.69 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.643 0.656 . . . . 0.0 110.138 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -62.67 -42.09 99.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.865 0.866 . . . . 0.0 112.948 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.74 -40.24 91.93 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.709 -0.619 . . . . 0.0 112.385 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.749 HD12 HD22 ' A' ' 7' ' ' LEU . 1.2 mt -56.63 -44.87 81.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 168.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.43 -39.74 95.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.912 1.685 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -37.04 76.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.12 0.568 . . . . 0.0 111.843 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -83.3 -34.31 25.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.124 0.97 . . . . 0.0 113.248 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.78 67.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.625 0.77 . . . . 0.0 112.428 170.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -58.65 -32.31 68.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.8 -37.12 35.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.355 1.062 . . . . 0.0 112.249 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -60.94 -37.63 83.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.368 0.667 . . . . 0.0 112.461 169.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.32 -66.09 0.59 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.743 1.217 . . . . 0.0 111.901 170.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 43.31 25.71 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.864 2.066 . . . . 0.0 114.934 -170.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -133.32 137.81 30.04 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.394 1.878 . . . . 0.0 109.901 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.01 -24.6 45.2 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.891 2.394 . . . . 0.0 114.065 -170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -67.46 -52.07 43.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.642 0.656 . . . . 0.0 110.67 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -67.35 -42.69 83.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.049 . . . . 0.0 112.284 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.37 -33.38 63.37 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.15 10.04 35.43 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.94 -44.47 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.36 1.464 . . . . 0.0 111.078 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.97 66.27 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.922 1.237 . . . . 0.0 111.743 169.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.67 -35.4 70.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.081 1.31 . . . . 0.0 113.309 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.87 -42.46 63.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.714 0.806 . . . . 0.0 112.399 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.756 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 67.7 mt -60.78 -44.28 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.233 1.013 . . . . 0.0 110.371 168.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.87 -39.86 90.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.52 1.055 . . . . 0.0 112.471 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.96 -37.92 79.1 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.312 0.96 . . . . 0.0 112.579 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.14 -39.98 95.18 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.685 1.194 . . . . 0.0 112.365 169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.743 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 12.5 mm-40 -71.33 -36.98 71.75 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.07 -41.24 87.49 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.078 -1.014 . . . . 0.0 111.834 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -59.96 -43.22 95.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.613 0.765 . . . . 0.0 111.623 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.631 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 55.6 m170 -63.4 -46.8 84.74 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.105 0.962 . . . . 0.0 112.208 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.28 -41.58 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 111.982 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.28 -44.5 92.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.23 0.923 . . . . 0.0 112.364 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -71.98 -36.38 69.78 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.621 0.768 . . . . 0.0 112.026 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -49.19 75.2 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.607 1.163 . . . . 0.0 111.558 170.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.66 -42.74 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -60.75 -34.23 74.12 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -77.44 -24.42 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.467 1.507 . . . . 0.0 112.878 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 CA--C 1.552 1.054 0 C-N-CA 126.39 1.876 . . . . 0.0 112.119 177.656 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.96 -35.89 80.98 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.09 0.956 . . . . 0.0 111.92 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.01 -36.58 81.97 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.158 1.783 . . . . 0.0 111.965 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.761 ' CD2' HD21 ' B' ' 17' ' ' LEU . 30.0 mt -73.33 -51.78 16.23 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.41 1.084 . . . . 0.0 111.489 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -41.5 67.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.622 2.369 . . . . 0.0 113.271 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.42 -49.73 68.1 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.562 HD21 HD22 ' B' ' 10' ' ' LEU . 45.8 mt -61.28 -39.57 90.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.629 0.772 . . . . 0.0 111.859 171.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.85 -36.18 67.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.223 1.409 . . . . 0.0 113.18 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.75 -22.78 22.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.45 -34.75 78.91 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.356 -0.84 . . . . 0.0 112.072 171.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.52 -39.99 80.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.889 0.768 . . . . 0.0 110.629 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmt -62.59 -39.7 94.56 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.455 1.025 . . . . 0.0 113.471 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -68.78 -38.74 80.24 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.479 -0.763 . . . . 0.0 111.922 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.53 -42.1 95.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.891 0.876 . . . . 0.0 112.434 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.548 1.539 . . . . 0.0 113.829 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtt85 -60.15 -40.32 89.45 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.915 1.234 . . . . 0.0 113.29 170.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -79.82 -42.62 23.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.742 0.817 . . . . 0.0 112.098 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.79 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.34 0.656 . . . . 0.0 112.272 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -64.96 -34.21 77.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 0.0 113.113 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.22 -40.54 82.04 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.302 -0.874 . . . . 0.0 111.637 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.69 -46.03 70.08 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.135 1.374 . . . . 0.0 112.403 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.08 29.67 0.17 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.312 2.245 . . . . 0.0 114.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -11.63 19.07 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.24 127.17 90.66 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.569 1.548 . . . . 0.0 110.41 169.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.6 -30.96 70.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.763 2.309 . . . . 0.0 113.873 -164.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.66 -47.44 76.67 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.331 1.052 . . . . 0.0 112.632 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -83.01 -36.14 25.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.696 1.599 . . . . 0.0 112.596 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -54.06 -27.67 33.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.578 1.151 . . . . 0.0 114.025 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -98.75 6.76 46.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 114.704 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.47 -46.52 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.337 1.455 . . . . 0.0 110.79 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -20.19 66.0 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.1 1.318 . . . . 0.0 112.259 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.98 -35.93 81.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.101 1.361 . . . . 0.0 113.332 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -73.41 -35.1 65.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.42 -0.8 . . . . 0.0 112.132 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.81 -50.25 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.413 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.88 -40.5 60.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.335 1.425 . . . . 0.0 113.224 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.78 -38.48 67.26 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.45 -41.01 98.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.565 1.146 . . . . 0.0 112.044 171.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 50.8 mm-40 -72.78 -35.03 67.31 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.719 -0.613 . . . . 0.0 110.31 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.75 -40.09 78.89 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.191 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -64.9 -40.39 95.01 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.687 -0.633 . . . . 0.0 112.231 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.668 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 44.7 m170 -61.99 -43.54 98.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.179 0.9 . . . . 0.0 111.59 172.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 124.498 1.119 . . . . 0.0 111.522 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.76 -48.69 77.27 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.544 1.065 . . . . 0.0 111.874 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.94 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 28.7 m0 -70.45 -40.03 73.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.337 0.655 . . . . 0.0 111.093 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -50.22 69.25 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.216 1.407 . . . . 0.0 112.014 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.54 -37.5 87.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.185 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -64.73 -30.78 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.512 HD12 ' HE3' ' B' ' 30' ' ' LYS . 51.8 mt -77.65 -24.75 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.069 1.747 . . . . 0.0 112.626 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.8 t30 . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 124.326 1.051 . . . . 0.0 112.466 172.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 118.843 -0.599 . . . . 0.0 112.257 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -61.15 -33.04 72.77 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.507 1.049 . . . . 0.0 112.733 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.13 -52.0 62.48 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.807 1.243 . . . . 0.0 111.542 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.79 -55.4 23.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.687 1.595 . . . . 0.0 112.619 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -41.9 51.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.785 2.034 . . . . 0.0 112.229 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -63.08 -52.13 63.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.562 HD22 HD21 ' A' ' 10' ' ' LEU . 16.2 mt -65.05 -35.17 80.31 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.272 0.942 . . . . 0.0 112.617 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 4.0 mm-40 -55.22 -42.13 72.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.541 1.536 . . . . 0.0 112.073 166.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -84.71 -23.62 29.26 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.63 -35.39 78.83 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.292 -0.88 . . . . 0.0 111.627 172.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.43 85.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.589 0.631 . . . . 0.0 110.185 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp -59.93 -41.36 91.64 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.712 0.805 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -66.33 -41.69 89.25 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.62 0.768 . . . . 0.0 111.24 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.761 HD21 ' CD2' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.65 -47.66 83.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.863 0.465 . . . . 0.0 112.136 168.751 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.39 -40.54 94.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.907 1.683 . . . . 0.0 113.246 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -64.6 -44.31 90.99 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.141 0.882 . . . . 0.0 112.563 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -76.19 -38.1 56.98 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.123 0.569 . . . . 0.0 111.834 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.13 -42.33 72.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.56 0.744 . . . . 0.0 111.362 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -64.26 -26.25 68.41 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.98 -46.46 57.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.836 -1.165 . . . . 0.0 111.898 173.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -72.56 -46.67 53.29 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.259 1.024 . . . . 0.0 112.214 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 36.82 0.3 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.029 2.131 . . . . 0.0 112.608 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -12.2 8.73 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -173.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.4 133.7 95.75 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.424 1.49 . . . . 0.0 110.817 171.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -68.03 -17.29 45.99 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.389 2.726 . . . . 0.0 114.668 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.72 -20.59 66.0 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.864 0.84 . . . . 0.0 112.284 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.512 ' HE3' HD12 ' A' ' 51' ' ' ILE . 9.1 tptm -116.57 -45.97 2.78 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.948 2.099 . . . . 0.0 112.793 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -51.73 -39.77 59.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -87.96 7.02 33.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.73 -49.63 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.261 1.424 . . . . 0.0 110.285 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -70.43 -18.14 63.01 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.416 1.007 . . . . 0.0 112.449 174.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.54 -35.65 80.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.209 -0.932 . . . . 0.0 113.206 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.31 -40.92 94.37 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.051 -1.031 . . . . 0.0 112.143 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.94 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 65.3 mt -62.85 -47.92 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.5 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.02 -44.36 60.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.395 1.452 . . . . 0.0 112.923 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.46 -38.12 71.29 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -65.9 -37.55 86.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.681 1.192 . . . . 0.0 112.586 174.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.668 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 54.6 mm-40 -74.93 -35.95 62.17 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.264 -0.897 . . . . 0.0 110.709 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.14 -37.64 75.03 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.378 -0.826 . . . . 0.0 111.723 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -62.5 -40.64 97.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.936 0.894 . . . . 0.0 112.381 173.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -65.47 -46.65 78.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 119.359 0.981 . . . . 0.0 111.919 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -38.97 63.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.617 1.167 . . . . 0.0 112.098 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -59.19 -43.97 92.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.88 1.218 . . . . 0.0 112.946 172.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -73.15 -39.89 65.32 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.754 0.822 . . . . 0.0 111.692 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.02 -38.79 71.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.67 1.588 . . . . 0.0 112.057 171.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.54 -44.08 75.29 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.12 0.568 . . . . 0.0 112.103 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -27.37 68.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 31.1 mm -89.39 -16.05 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.972 1.709 . . . . 0.0 113.319 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 123.94 0.896 . . . . 0.0 112.538 178.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -29.45 70.8 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.173 0.897 . . . . 0.0 112.925 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.7 -54.61 45.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.76 1.224 . . . . 0.0 111.486 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' B' ' 18' ' ' TYR . 10.3 mp -63.38 -45.47 90.98 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 125.057 1.343 . . . . 0.0 112.364 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -42.14 67.96 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.122 1.769 . . . . 0.0 112.19 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -64.01 -52.23 60.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.6 -31.46 72.51 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.708 0.685 . . . . 0.0 112.831 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.74 -38.29 75.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.896 1.679 . . . . 0.0 111.744 166.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.99 -23.27 23.87 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -66.84 -34.5 77.94 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.108 -0.995 . . . . 0.0 112.044 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.63 -40.94 84.6 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 118.713 0.688 . . . . 0.0 110.566 170.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.49 -42.31 99.4 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.247 0.93 . . . . 0.0 113.001 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.35 -44.97 92.61 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.454 1.024 . . . . 0.0 111.512 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.14 -48.77 79.22 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.929 . . . . 0.0 111.991 172.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.62 -42.03 82.48 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.01 -26.14 67.4 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.272 0.942 . . . . 0.0 113.131 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.12 -40.57 10.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.28 1.032 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -31.69 62.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.468 0.707 . . . . 0.0 111.925 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -55.29 -34.32 64.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 113.458 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -38.57 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.07 -1.019 . . . . 0.0 112.746 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -84.73 -33.56 23.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.987 1.315 . . . . 0.0 113.546 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.38 6.95 10.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.421 1.888 . . . . 0.0 114.62 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -55.38 -13.84 1.61 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -171.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.13 135.98 93.9 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.953 1.701 . . . . 0.0 110.407 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.68 -28.31 86.31 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.111 2.541 . . . . 0.0 114.208 -166.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.59 -29.72 66.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.133 1.773 . . . . 0.0 114.567 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.88 -40.34 5.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.231 1.812 . . . . 0.0 112.093 173.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -57.13 -26.47 60.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.924 1.69 . . . . 0.0 114.522 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -99.24 2.46 45.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.68 -46.81 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.564 1.546 . . . . 0.0 110.382 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -24.61 66.82 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.634 1.106 . . . . 0.0 111.846 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.6 -33.46 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.514 1.125 . . . . 0.0 113.043 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -75.84 -41.86 51.24 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.519 -0.738 . . . . 0.0 112.213 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mt -60.63 -46.22 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.183 166.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 mt -54.9 -43.02 72.89 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.018 1.281 . . . . 0.0 112.066 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.82 -38.18 73.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -62.91 -41.01 99.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.259 1.023 . . . . 0.0 112.143 171.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.63 -36.1 70.62 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 110.405 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.69 -40.73 88.87 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.097 -1.002 . . . . 0.0 112.134 169.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.57 -40.36 96.6 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.708 -0.62 . . . . 0.0 112.019 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -62.01 -44.48 96.63 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.834 0.854 . . . . 0.0 111.498 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.27 -39.2 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.243 1.017 . . . . 0.0 112.142 175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -60.68 -42.53 97.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.98 1.264 . . . . 0.0 112.708 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.87 -40.75 63.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 111.632 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -55.82 -38.77 70.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.756 1.622 . . . . 0.0 112.287 172.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.5 -43.32 90.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.427 0.691 . . . . 0.0 112.435 172.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -26.1 67.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.9 mt -80.39 -27.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.959 1.704 . . . . 0.0 113.092 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 124.943 1.297 . . . . 0.0 112.563 178.678 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -62.63 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.993 1.27 . . . . 0.0 113.28 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.65 -48.78 79.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.578 1.151 . . . . 0.0 111.175 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.3 10.27 0.63 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.707 2.803 . . . . 0.0 114.884 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.36 -46.02 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.445 1.498 . . . . 0.0 110.479 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -48.12 72.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.96 -37.75 88.56 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.698 0.799 . . . . 0.0 111.732 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.06 -34.68 68.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.284 1.434 . . . . 0.0 112.81 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -87.15 -32.75 19.69 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -61.76 -36.57 81.43 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.881 1.272 . . . . 0.0 111.609 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.91 81.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.41 0.684 . . . . 0.0 110.2 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -40.37 89.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 0.0 112.096 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.4 -44.77 90.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.29 1.036 . . . . 0.0 111.383 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.19 -37.68 88.19 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.46 ' CE1' HD22 ' A' ' 7' ' ' LEU . 3.7 m-85 -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.736 1.614 . . . . 0.0 113.156 173.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -63.89 -41.59 97.67 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.209 0.913 . . . . 0.0 112.655 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.03 -38.32 44.91 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 0.0 112.169 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.43 69.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.639 0.775 . . . . 0.0 112.126 171.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -61.5 -32.88 72.92 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.381 0.991 . . . . 0.0 113.149 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.38 -40.4 73.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.088 -1.008 . . . . 0.0 112.182 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.4 -46.49 83.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.457 0.703 . . . . 0.0 111.997 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.73 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.645 2.378 . . . . 0.0 114.051 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -55.51 -21.95 19.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -61.69 119.46 47.68 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.619 1.568 . . . . 0.0 111.06 168.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -63.12 -18.97 67.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.245 2.63 . . . . 0.0 114.227 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.55 -33.15 69.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.057 0.943 . . . . 0.0 113.178 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.02 -38.12 9.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.844 2.058 . . . . 0.0 112.566 170.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.57 -2.65 2.5 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -118.01 9.52 12.79 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.11 -48.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.615 1.566 . . . . 0.0 110.448 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 -21.32 63.15 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.72 1.146 . . . . 0.0 112.038 171.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -65.86 -34.97 79.37 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.268 -0.895 . . . . 0.0 112.17 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -68.21 -37.44 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.49 0.716 . . . . 0.0 112.316 176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.62 -47.84 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.651 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.307 0.1 OUTLIER -57.97 -40.78 81.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.833 1.197 . . . . 0.0 111.937 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.96 -37.9 82.12 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.764 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -63.77 -38.0 89.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.067 0.947 . . . . 0.0 112.323 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -72.95 -39.87 65.83 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.355 -0.841 . . . . 0.0 110.981 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.63 -35.17 68.03 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.585 -0.697 . . . . 0.0 112.079 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -66.42 -41.35 89.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.916 0.886 . . . . 0.0 112.904 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -62.72 -41.36 99.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.476 1.11 . . . . 0.0 112.619 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.42 -39.19 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.697 1.199 . . . . 0.0 112.006 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.54 -36.57 83.0 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.746 0.818 . . . . 0.0 112.983 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -77.44 -37.29 51.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.421 1.088 . . . . 0.0 112.045 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -47.9 65.75 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 111.941 170.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.02 -27.42 63.53 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 173.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 98.9 m -83.58 -27.89 28.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.788 1.235 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.24 -27.82 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.371 1.468 . . . . 0.0 112.885 168.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 124.974 1.31 . . . . 0.0 112.367 171.232 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -67.74 -41.53 83.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 121.142 1.792 . . . . 0.0 111.372 168.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -43.52 94.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.895 1.278 . . . . 0.0 112.379 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.38 -4.13 34.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.401 1.881 . . . . 0.0 114.559 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.77 -42.0 3.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.358 1.863 . . . . 0.0 109.801 -173.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -67.05 -47.95 69.79 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 17' ' ' LEU . 28.8 mt -67.13 -34.04 76.73 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.767 0.712 . . . . 0.0 112.168 173.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -42.9 82.79 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.259 1.424 . . . . 0.0 112.422 166.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -81.42 -24.24 37.03 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.65 -32.04 73.1 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.238 -0.914 . . . . 0.0 111.932 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.88 66.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.093 0.861 . . . . 0.0 110.655 168.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mtp -55.42 -42.51 74.24 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.552 1.069 . . . . 0.0 113.626 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.64 -30.29 52.13 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.581 ' CD1' HD11 ' B' ' 10' ' ' LEU . 5.8 mt -59.41 -47.57 84.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.242 -0.409 . . . . 0.0 110.541 163.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -58.07 -37.8 75.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.583 1.553 . . . . 0.0 114.099 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -27.43 68.36 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.933 1.693 . . . . 0.0 113.875 176.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -105.85 -33.22 8.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.421 1.488 . . . . 0.0 112.885 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -33.35 35.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.324 1.05 . . . . 0.0 111.533 165.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -58.22 -28.14 64.58 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.71 -40.56 66.06 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.871 1.214 . . . . 0.0 111.97 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.85 -32.4 69.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.794 1.238 . . . . 0.0 112.672 172.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.09 28.4 1.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.45 2.3 . . . . 0.0 113.138 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -52.39 -24.84 8.42 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.25 123.1 81.41 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.121 1.368 . . . . 0.0 109.648 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.25 -21.39 72.5 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 122.724 2.283 . . . . 0.0 113.806 -171.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.55 -32.99 67.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.401 1.081 . . . . 0.0 113.184 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -39.86 7.77 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.931 2.093 . . . . 0.0 112.263 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -56.94 -28.61 62.32 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -97.19 8.21 45.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.69 -46.91 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.088 1.355 . . . . 0.0 110.689 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -15.85 63.59 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.726 1.148 . . . . 0.0 112.478 173.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -64.07 -33.48 75.85 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.277 -0.89 . . . . 0.0 113.37 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.76 -39.99 80.0 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.55 -0.719 . . . . 0.0 111.991 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' B' ' 44' ' ' HIS . 67.5 mt -62.75 -48.65 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.579 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.13 -45.31 64.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.653 1.115 . . . . 0.0 112.606 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.97 -40.28 72.03 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.48 -40.0 89.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.636 1.175 . . . . 0.0 112.183 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.92 -39.78 66.0 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.423 -0.798 . . . . 0.0 111.02 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.96 -34.27 71.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.369 -0.832 . . . . 0.0 111.993 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -61.84 -47.45 85.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.198 0.999 . . . . 0.0 111.991 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' CD2' HG12 ' B' ' 37' ' ' ILE . 50.8 m170 -62.91 -40.9 98.99 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.454 1.102 . . . . 0.0 112.187 177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.6 -40.37 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 112.01 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.61 -41.8 99.2 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.135 -0.978 . . . . 0.0 112.761 172.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.69 -37.26 76.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.795 0.838 . . . . 0.0 111.841 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -49.27 74.44 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.371 1.468 . . . . 0.0 111.698 170.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -40.58 83.37 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.424 0.69 . . . . 0.0 112.572 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -62.23 -19.96 63.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.055 0.942 . . . . 0.0 113.498 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mm -100.25 -10.68 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.036 1.735 . . . . 0.0 113.277 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 . . . . . 0 CA--C 1.551 0.996 0 O-C-N 121.238 -0.914 . . . . 0.0 111.252 168.123 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -56.5 -43.5 79.77 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.36 1.064 . . . . 0.0 112.041 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.99 -39.41 85.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.837 1.255 . . . . 0.0 112.17 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.06 -57.34 6.28 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.314 1.046 . . . . 0.0 110.431 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -41.98 72.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.881 2.473 . . . . 0.0 112.597 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.55 -45.7 78.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 17' ' ' LEU . 19.9 mt -69.76 -35.15 74.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.86 0.755 . . . . 0.0 112.335 174.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.29 -40.53 67.96 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.834 1.253 . . . . 0.0 112.537 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -86.83 -18.25 31.44 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.06 -36.42 77.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.572 1.078 . . . . 0.0 111.987 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.28 91.45 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 167.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.64 -40.79 96.12 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -61.07 -44.74 96.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 111.534 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.402 HD13 HD11 ' A' ' 10' ' ' LEU . 3.6 mt -55.76 -51.98 65.51 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.594 0.757 . . . . 0.0 111.353 171.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -59.17 -38.35 79.56 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.695 1.998 . . . . 0.0 113.619 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -68.13 -38.94 82.77 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.605 1.093 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -83.55 -38.99 20.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.625 0.77 . . . . 0.0 112.833 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.1 -39.41 63.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.556 0.742 . . . . 0.0 111.352 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -58.15 -35.57 71.73 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.68 -46.61 65.69 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.833 -1.167 . . . . 0.0 111.756 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -67.52 -39.86 85.08 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.714 -0.616 . . . . 0.0 112.11 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.37 42.95 1.1 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.531 1.932 . . . . 0.0 112.41 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -18.36 20.98 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 130.44 93.65 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 126.449 1.9 . . . . 0.0 111.64 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.48 -25.12 41.7 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.837 2.358 . . . . 0.0 114.601 -167.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.37 -47.31 72.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.442 1.097 . . . . 0.0 112.774 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -80.68 -39.58 26.95 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.358 1.463 . . . . 0.0 112.034 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -60.7 -16.85 43.86 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.6 m -106.65 10.44 31.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.313 1.445 . . . . 0.0 114.102 171.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.92 -36.14 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.787 1.635 . . . . 0.0 111.556 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 -19.74 34.96 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.552 1.069 . . . . 0.0 112.868 169.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.25 -32.25 58.76 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.962 -1.086 . . . . 0.0 113.186 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -67.28 -28.69 68.23 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.263 -0.898 . . . . 0.0 113.365 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 44' ' ' HIS . 71.2 mt -67.35 -56.56 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 116.918 -1.515 . . . . 0.0 108.207 161.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 37.2 mt -48.2 -38.71 18.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.684 2.038 . . . . 0.0 114.648 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.73 -30.65 65.86 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.17 -35.2 61.6 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.876 1.67 . . . . 0.0 111.9 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -84.16 -36.47 22.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.798 1.639 . . . . 0.0 109.922 -165.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.67 -32.64 72.84 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.286 1.435 . . . . 0.0 112.194 165.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.49 89.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.986 0.914 . . . . 0.0 112.249 176.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.462 ' CD2' HG12 ' A' ' 37' ' ' ILE . 47.8 m170 -64.69 -42.02 95.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 112.301 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.21 -38.69 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.836 0.854 . . . . 0.0 110.863 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.31 -46.15 79.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.964 0.802 . . . . 0.0 112.543 170.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -73.15 -39.72 65.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.5 0.72 . . . . 0.0 112.031 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.07 -43.05 77.57 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.876 1.671 . . . . 0.0 112.375 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.58 -30.69 70.36 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -74.09 -28.53 61.41 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.098 0.959 . . . . 0.0 111.946 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -92.87 -12.15 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 126.216 1.807 . . . . 0.0 113.09 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 126.177 1.791 . . . . 0.0 113.694 176.354 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -62.36 -32.08 72.82 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.687 1.585 . . . . 0.0 111.974 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -40.95 77.55 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.708 1.203 . . . . 0.0 112.588 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' B' ' 18' ' ' TYR . 27.6 mt -73.47 -48.14 35.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.744 0.818 . . . . 0.0 111.063 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -36.78 17.4 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.232 2.613 . . . . 0.0 112.721 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -68.09 -56.37 9.11 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.32 -34.95 74.54 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.144 0.883 . . . . 0.0 112.965 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.8 -44.66 82.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.251 1.421 . . . . 0.0 111.784 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -79.32 -24.71 42.63 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -65.16 -37.74 88.36 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.639 -0.663 . . . . 0.0 111.712 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.66 84.63 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.446 0.567 . . . . 0.0 109.677 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -58.04 -41.63 83.66 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.237 0.926 . . . . 0.0 113.078 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -74.68 -32.91 62.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.642 1.11 . . . . 0.0 113.237 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 5.9 mt -57.66 -41.77 82.18 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.24 -32.68 74.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.998 1.719 . . . . 0.0 114.124 175.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.69 -47.67 82.61 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.943 1.247 . . . . 0.0 112.543 169.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.64 -39.12 62.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.017 0.927 . . . . 0.0 112.111 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.07 71.56 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.401 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -61.74 -33.32 73.85 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.747 1.158 . . . . 0.0 112.518 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.35 -43.51 70.05 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.193 -0.942 . . . . 0.0 112.347 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -45.55 94.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.945 0.898 . . . . 0.0 112.135 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.33 24.32 1.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.216 2.207 . . . . 0.0 114.082 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -21.74 1.91 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -58.55 131.14 85.29 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 124.699 1.2 . . . . 0.0 111.409 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -64.07 -21.96 67.94 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.13 2.553 . . . . 0.0 114.343 -171.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.98 -31.01 70.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.259 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -111.96 -33.27 6.33 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.084 1.754 . . . . 0.0 113.462 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -24.31 43.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.733 1.213 . . . . 0.0 113.684 168.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -101.87 12.99 36.08 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.949 1.7 . . . . 0.0 113.801 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.53 -46.11 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.118 1.367 . . . . 0.0 110.762 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -16.11 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.75 1.159 . . . . 0.0 112.227 170.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -40.29 83.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.852 1.261 . . . . 0.0 113.181 176.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -71.24 -34.35 70.69 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.8 mt -64.64 -49.06 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.18 0.592 . . . . 0.0 109.558 168.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.88 -45.25 64.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.298 0.953 . . . . 0.0 112.591 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.02 -39.55 79.19 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 35.9 m-20 -62.09 -39.31 92.03 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.125 0.97 . . . . 0.0 112.361 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' OE2' ' ND1' ' B' ' 44' ' ' HIS . 54.5 mm-40 -73.4 -38.44 65.62 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.254 -0.904 . . . . 0.0 111.091 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.01 -35.67 69.52 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.517 -0.74 . . . . 0.0 111.944 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -66.86 -42.86 84.98 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.539 0.735 . . . . 0.0 112.612 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -60.48 -42.52 96.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.154 0.982 . . . . 0.0 112.266 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.08 -37.48 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.696 1.199 . . . . 0.0 112.441 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.07 -40.56 90.96 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.027 -1.045 . . . . 0.0 112.779 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -72.22 -37.19 69.26 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.05 0.94 . . . . 0.0 111.564 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -48.75 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.791 1.637 . . . . 0.0 112.063 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.43 -39.06 85.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.733 0.778 . . . . 0.0 112.935 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -60.94 -30.55 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.889 1.276 . . . . 0.0 112.923 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -80.25 -20.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.679 1.992 . . . . 0.0 112.936 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 CA--C 1.551 1.011 0 C-N-CA 125.845 1.658 . . . . 0.0 112.515 176.168 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -83.64 -35.3 24.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -49.9 -41.53 46.11 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.868 2.067 . . . . 0.0 112.86 165.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.661 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 67.2 mt -81.42 0.96 35.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.553 1.541 . . . . 0.0 114.907 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.5 -44.23 2.47 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.064 1.345 . . . . 0.0 110.694 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.83 -51.83 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.62 -34.48 77.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.712 0.687 . . . . 0.0 112.472 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -40.23 82.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.085 1.354 . . . . 0.0 112.456 166.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.21 -27.03 35.48 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 120.545 -1.347 . . . . 0.0 114.219 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -65.1 -36.29 83.84 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.77 0.714 . . . . 0.0 111.755 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.98 84.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.573 0.624 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtp -59.7 -40.37 87.68 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.826 0.739 . . . . 0.0 112.788 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -38.28 83.34 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.315 0.646 . . . . 0.0 111.576 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.57 -42.45 96.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.493 0.717 . . . . 0.0 112.125 167.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.437 ' CE1' HD12 ' A' ' 7' ' ' LEU . 3.6 m-85 -62.34 -34.0 75.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 113.815 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -57.77 -45.25 86.23 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.179 0.9 . . . . 0.0 112.541 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.03 -36.8 27.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.944 0.898 . . . . 0.0 112.56 -175.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.07 60.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.86 0.864 . . . . 0.0 111.964 168.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -60.42 -25.06 65.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 171.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.85 -36.37 62.34 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.515 1.507 . . . . 0.0 113.039 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.11 -37.75 75.43 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.269 0.628 . . . . 0.0 112.321 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.66 28.02 1.4 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.818 2.047 . . . . 0.0 113.692 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -51.01 -28.85 10.96 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.122 1.769 . . . . 0.0 114.702 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.41 132.29 87.79 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.689 1.596 . . . . 0.0 111.188 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.44 -21.15 71.08 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.658 2.905 . . . . 0.0 114.747 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.51 -28.58 68.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.043 1.337 . . . . 0.0 113.171 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -108.09 -35.48 6.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.831 1.652 . . . . 0.0 113.292 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -53.87 -37.08 63.33 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.842 1.201 . . . . 0.0 113.065 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -91.4 8.64 35.26 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.94 -46.72 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.039 1.336 . . . . 0.0 110.454 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.263 0.5 OUTLIER -68.23 -26.99 65.97 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.73 1.15 . . . . 0.0 111.382 172.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -56.29 -35.11 67.13 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.229 1.377 . . . . 0.0 112.476 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.26 -38.04 84.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.597 0.635 . . . . 0.0 112.097 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.51 -50.61 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 117.394 -1.288 . . . . 0.0 109.553 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -53.34 -40.19 64.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 121.377 1.899 . . . . 0.0 113.026 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.41 -39.89 74.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.905 0.775 . . . . 0.0 112.906 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 37.8 m-20 -63.12 -41.15 99.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.877 1.271 . . . . 0.0 112.217 169.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -71.61 -37.48 70.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.369 -0.832 . . . . 0.0 110.349 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.53 -36.36 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.147 -0.97 . . . . 0.0 112.088 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -64.73 -39.82 94.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.63 -0.669 . . . . 0.0 112.247 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.529 ' ND1' ' OE2' ' A' ' 41' ' ' GLU . 51.9 m170 -62.29 -48.16 81.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.309 0.959 . . . . 0.0 111.12 173.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.95 -40.51 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.656 1.182 . . . . 0.0 111.554 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -55.82 -48.3 75.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.881 1.219 . . . . 0.0 111.926 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . 0.542 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 26.3 m0 -72.54 -38.79 67.91 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 123.346 0.658 . . . . 0.0 112.055 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.56 -46.55 89.44 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.124 1.77 . . . . 0.0 112.249 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.72 -36.9 83.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.927 0.491 . . . . 0.0 110.814 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 42.9 m -62.83 -33.7 75.78 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.84 -24.58 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.667 1.587 . . . . 0.0 113.442 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 111.887 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.487 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -64.76 -31.05 72.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.86 -44.42 69.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.359 0.664 . . . . 0.0 110.917 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.262 0.2 OUTLIER -64.94 -43.07 93.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.84 0.856 . . . . 0.0 112.461 178.807 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.02 -41.33 71.18 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.3 2.24 . . . . 0.0 112.553 176.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.08 -54.01 49.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.09 72.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 175.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -41.18 85.72 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.898 1.279 . . . . 0.0 113.409 163.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.31 -23.42 28.11 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.71 -37.26 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.344 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.35 90.12 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.33 0.968 . . . . 0.0 111.058 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtp -66.04 -42.55 89.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.206 0.603 . . . . 0.0 112.424 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.83 -40.14 91.51 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.754 -0.591 . . . . 0.0 111.069 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.48 98.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.224 1.009 . . . . 0.0 112.422 168.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -63.3 -32.4 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.01 94.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.235 1.014 . . . . 0.0 111.464 173.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -76.72 -40.44 48.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.704 0.802 . . . . 0.0 112.493 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.11 66.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.541 0.736 . . . . 0.0 111.84 171.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -60.23 -31.79 70.51 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.341 1.056 . . . . 0.0 113.393 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -77.31 -43.02 34.6 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.232 -0.918 . . . . 0.0 111.751 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -60.24 -30.65 69.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.213 1.005 . . . . 0.0 112.757 172.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.62 37.15 2.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.097 2.159 . . . . 0.0 113.051 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -25.56 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.863 2.065 . . . . 0.0 116.452 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.41 127.78 91.66 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.365 1.466 . . . . 0.0 111.421 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.4 -20.91 61.32 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.214 2.609 . . . . 0.0 114.377 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.14 -34.41 68.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.764 1.226 . . . . 0.0 112.883 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -92.45 -48.29 6.72 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.925 1.69 . . . . 0.0 111.994 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -52.24 -27.89 16.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 114.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -99.4 5.36 46.37 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.141 1.377 . . . . 0.0 114.35 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -116.12 -43.38 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.027 1.731 . . . . 0.0 110.946 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.9 OUTLIER -67.29 -19.31 65.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.147 1.34 . . . . 0.0 111.742 166.439 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.0 -36.71 70.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.324 1.049 . . . . 0.0 113.584 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.533 ' CG ' ' CH2' ' B' ' 47' ' ' TRP . 1.1 tpmt? -75.92 -37.58 58.58 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.628 -0.67 . . . . 0.0 112.388 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.554 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 3.8 mt -59.65 -48.79 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.235 163.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -56.27 -43.0 78.37 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.574 1.534 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -67.78 -40.73 83.97 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.773 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -64.52 -38.97 92.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 112.387 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.4 -38.99 68.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.413 -0.804 . . . . 0.0 109.805 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -58.34 -36.56 73.62 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.255 -0.903 . . . . 0.0 112.175 169.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.23 -39.97 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.686 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 53.4 m170 -63.44 -44.88 93.26 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.57 1.077 . . . . 0.0 110.948 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.78 -37.88 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.482 1.113 . . . . 0.0 111.737 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.43 -49.17 73.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 120.823 1.647 . . . . 0.0 111.743 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HZ3' ' N ' ' B' ' 37' ' ' ILE . 24.4 m0 -72.66 -41.37 65.49 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.375 0.67 . . . . 0.0 111.751 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.66 -47.19 77.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.685 1.594 . . . . 0.0 111.817 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.68 -43.92 91.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.067 0.547 . . . . 0.0 111.508 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -59.28 -24.6 63.39 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -99.1 -14.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.854 1.662 . . . . 0.0 113.118 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 CA--C 1.558 1.27 0 C-N-CA 126.168 1.787 . . . . 0.0 115.368 -177.199 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.51 -38.28 71.57 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.227 -0.92 . . . . 0.0 112.116 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.82 -35.6 80.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.581 1.553 . . . . 0.0 113.031 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.28 -56.1 14.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.092 1.357 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -43.81 69.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.799 2.44 . . . . 0.0 112.707 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.96 -42.81 80.32 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.6 -42.02 95.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.738 0.815 . . . . 0.0 111.911 169.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.6 -33.08 53.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.443 1.497 . . . . 0.0 112.778 170.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -91.01 -24.19 20.16 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.93 -35.11 79.6 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.388 0.995 . . . . 0.0 111.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.04 84.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.191 0.905 . . . . 0.0 110.53 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -60.14 -41.79 93.44 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.522 1.129 . . . . 0.0 112.363 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -68.39 -40.12 81.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.639 0.775 . . . . 0.0 112.017 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.19 97.36 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 169.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.3 -34.83 74.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.888 1.675 . . . . 0.0 113.765 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -60.16 -46.69 88.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.743 1.156 . . . . 0.0 112.549 170.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -75.13 -41.23 58.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.75 -41.43 70.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.317 1.047 . . . . 0.0 111.653 170.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.0 t -63.48 -36.58 84.21 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.179 0.9 . . . . 0.0 112.82 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.93 -46.01 72.7 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.381 -0.824 . . . . 0.0 111.703 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.4 -45.67 92.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.421 1.488 . . . . 0.0 111.564 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.15 34.11 0.87 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.552 2.341 . . . . 0.0 113.877 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -19.98 1.58 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -58.95 129.43 85.74 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 125.405 1.482 . . . . 0.0 111.597 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.03 -22.13 35.89 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.744 2.296 . . . . 0.0 114.78 -162.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.75 -59.07 5.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.134 0.879 . . . . 0.0 111.117 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -62.53 -44.51 96.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.616 1.567 . . . . 0.0 111.412 173.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.67 -20.09 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -100.9 -2.5 31.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.826 1.25 . . . . 0.0 114.103 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.92 -52.47 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.144 1.378 . . . . 0.0 110.576 174.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.46 -18.88 65.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.463 1.029 . . . . 0.0 112.866 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.67 -34.84 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.382 0.673 . . . . 0.0 112.254 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.492 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 27.9 mtpp -68.87 -42.13 77.46 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.25 -0.906 . . . . 0.0 112.106 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.605 ' N ' ' HZ3' ' A' ' 47' ' ' TRP . 3.6 mp -62.34 -49.21 84.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 167.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.09 -41.09 64.6 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.072 1.305 . . . . 0.0 113.213 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.13 -36.97 69.54 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.61 1.096 . . . . 0.0 113.441 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.686 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 38.5 m-20 -64.17 -41.11 97.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.437 1.095 . . . . 0.0 112.19 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.435 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 37.5 mm-40 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.764 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.15 -38.52 73.65 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.12 0.568 . . . . 0.0 111.345 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -64.91 -45.08 87.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.406 0.682 . . . . 0.0 112.328 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.773 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.3 m170 -59.91 -48.58 81.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.632 1.105 . . . . 0.0 111.561 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 21.9 mm -58.05 -37.98 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.899 1.279 . . . . 0.0 112.159 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.18 -42.09 98.95 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.073 -1.017 . . . . 0.0 112.753 173.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . 0.533 ' CH2' ' CG ' ' A' ' 36' ' ' LYS . 27.6 m0 -73.37 -40.67 64.19 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.005 0.922 . . . . 0.0 111.919 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.44 -42.09 73.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.773 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.02 -46.23 82.19 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.3 m -57.7 -29.14 64.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.902 1.281 . . . . 0.0 113.029 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -93.19 -26.76 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 113.668 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.5 t30 . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 124.044 0.938 . . . . 0.0 112.208 178.528 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -69.39 -39.86 77.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.753 1.16 . . . . 0.0 111.354 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.7 -29.19 67.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.582 1.153 . . . . 0.0 112.2 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.08 -60.98 1.96 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.852 0.461 . . . . 0.0 110.679 169.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -44.37 35.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.14 2.576 . . . . 0.0 114.159 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -68.5 -48.88 63.26 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -173.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.4 -32.01 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.886 0.874 . . . . 0.0 112.971 170.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.38 -40.41 74.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 111.602 164.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -82.13 -17.97 44.55 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 174.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.44 -36.78 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.125 -0.985 . . . . 0.0 111.917 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.79 85.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.641 0.655 . . . . 0.0 110.913 166.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.8 mmm -66.87 -41.31 87.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.11 0.964 . . . . 0.0 113.248 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -66.99 -41.73 86.24 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.64 -0.662 . . . . 0.0 111.559 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.79 ' CD1' ' HG2' ' B' ' 6' ' ' GLU . 1.3 mt -55.83 -49.9 72.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.725 0.81 . . . . 0.0 112.012 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.673 ' CE1' HD12 ' B' ' 7' ' ' LEU . 2.1 m-85 -57.92 -38.63 76.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.599 1.56 . . . . 0.0 114.129 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -62.21 -33.84 75.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.721 0.808 . . . . 0.0 112.551 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -80.25 -40.99 25.9 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.0 0.92 . . . . 0.0 112.302 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.27 -36.46 68.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 173.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 t -57.88 -34.08 69.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.632 1.173 . . . . 0.0 113.269 170.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.66 -44.75 77.12 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.185 -0.947 . . . . 0.0 111.917 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.3 -44.67 94.36 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.945 0.898 . . . . 0.0 111.667 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.98 28.19 1.22 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.909 2.084 . . . . 0.0 114.113 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -22.91 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.51 129.57 91.27 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.766 1.226 . . . . 0.0 111.448 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.75 -23.89 62.46 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.031 2.487 . . . . 0.0 114.602 -166.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -57.01 -27.47 61.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.592 1.557 . . . . 0.0 114.009 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.01 -38.05 5.67 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.076 1.75 . . . . 0.0 112.631 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.86 -33.79 62.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -87.47 -2.75 58.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.82 -50.13 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.079 1.352 . . . . 0.0 110.414 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.271 0.9 OUTLIER -67.52 -23.0 65.4 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.482 1.037 . . . . 0.0 112.061 173.743 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -60.97 -36.68 80.04 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.734 -1.229 . . . . 0.0 113.656 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -69.0 -34.47 75.32 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.24 -0.912 . . . . 0.0 112.384 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.51 -50.7 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.001 0.92 . . . . 0.0 109.203 166.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -52.4 -38.6 59.41 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 120.321 1.419 . . . . 0.0 112.694 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.87 -41.93 70.72 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.71 ' OD2' ' NE2' ' B' ' 44' ' ' HIS . 22.6 m-20 -61.45 -39.3 90.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.393 1.077 . . . . 0.0 112.167 173.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 43.8 mm-40 -75.64 -34.23 60.52 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.986 -177.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -60.8 -38.05 84.05 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.494 -0.754 . . . . 0.0 111.184 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -62.91 -40.41 97.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.721 0.808 . . . . 0.0 112.6 173.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.985 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 55.2 m170 -62.27 -48.73 78.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.323 0.965 . . . . 0.0 111.173 175.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.36 -39.47 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.018 0.927 . . . . 0.0 112.047 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.62 -49.9 69.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.947 0.794 . . . . 0.0 112.069 172.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 1.274 ' CZ3' HG12 ' B' ' 37' ' ' ILE . 19.7 m0 -72.67 -40.68 66.12 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.105 0.562 . . . . 0.0 111.808 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.12 -43.82 82.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.027 1.731 . . . . 0.0 112.182 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -66.87 -41.19 87.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.084 0.554 . . . . 0.0 112.051 172.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -63.4 -26.21 68.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -88.48 -17.1 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.717 1.607 . . . . 0.0 113.204 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 124.721 1.208 . . . . 0.0 111.913 169.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.86 -34.89 75.3 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 118.669 0.668 . . . . 0.0 111.201 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.79 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 26.2 tt0 -54.94 -43.5 73.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.044 1.738 . . . . 0.0 112.532 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.673 HD12 ' CE1' ' A' ' 18' ' ' TYR . 93.9 mt -65.53 -54.94 21.09 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.41 1.084 . . . . 0.0 112.077 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -43.26 35.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.262 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -65.64 -51.94 55.61 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.53 -31.12 72.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -57.51 -41.41 80.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.431 1.092 . . . . 0.0 112.833 164.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.44 -20.75 36.35 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.2 -31.53 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 119.094 0.861 . . . . 0.0 111.958 173.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.63 -48.41 48.06 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.278 0.944 . . . . 0.0 110.024 171.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mtp -53.01 -42.63 65.81 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.682 1.128 . . . . 0.0 113.282 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.7 -35.35 70.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.753 -1.217 . . . . 0.0 111.841 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -40.25 95.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.407 0.683 . . . . 0.0 111.038 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.84 -36.56 81.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.72 2.008 . . . . 0.0 113.253 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtp85 -61.44 -46.47 89.95 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.232 0.924 . . . . 0.0 112.641 172.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.34 -37.14 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.493 0.717 . . . . 0.0 112.649 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.86 64.87 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.184 0.994 . . . . 0.0 111.512 168.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t -64.57 -25.41 67.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -50.01 27.37 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.702 1.137 . . . . 0.0 111.267 172.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -66.3 -39.87 89.62 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.55 39.75 1.01 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.55 1.94 . . . . 0.0 113.14 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -17.15 1.76 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 172.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.85 135.42 77.54 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.43 1.892 . . . . 0.0 112.144 171.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.72 -15.66 33.52 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.556 2.838 . . . . 0.0 115.275 -168.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.31 -40.69 74.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.929 0.892 . . . . 0.0 112.379 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.72 -35.89 16.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.573 1.549 . . . . 0.0 112.903 172.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.94 -3.81 0.86 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -120.85 18.48 11.82 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.885 1.274 . . . . 0.0 113.744 168.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.06 -45.38 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.347 1.859 . . . . 0.0 110.411 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -20.76 60.9 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.193 -0.942 . . . . 0.0 111.629 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.36 -43.77 80.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.367 1.067 . . . . 0.0 112.324 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -70.83 -33.07 70.3 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 1.274 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 93.2 mt -66.91 -46.78 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.836 168.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -42.56 64.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.939 1.245 . . . . 0.0 112.816 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.0 -35.3 76.53 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.2 -39.01 86.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.36 1.064 . . . . 0.0 112.361 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.985 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 51.1 mm-40 -74.74 -37.64 62.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.207 -0.933 . . . . 0.0 110.823 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -36.37 69.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.76 170.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -64.77 -43.11 94.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 0.0 112.432 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.71 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 53.4 m170 -61.9 -41.76 98.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.374 1.069 . . . . 0.0 112.066 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.76 -39.57 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 111.945 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.92 -40.13 96.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.303 0.956 . . . . 0.0 112.935 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -72.22 -38.51 68.97 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.951 0.9 . . . . 0.0 111.843 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -49.68 72.95 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 170.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.91 -44.61 91.28 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -58.48 -30.15 66.77 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -85.99 -20.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.927 1.691 . . . . 0.0 114.185 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 125.18 1.392 . . . . 0.0 112.141 -178.06 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -57.27 -41.49 79.81 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.379 1.445 . . . . 0.0 111.835 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -22.12 65.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.688 1.595 . . . . 0.0 113.345 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.54 -51.16 5.25 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.078 1.351 . . . . 0.0 110.312 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -41.35 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.812 2.845 . . . . 0.0 113.018 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -64.93 -50.57 65.94 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.13 -35.06 77.5 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.191 0.997 . . . . 0.0 112.497 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.03 -34.88 70.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.459 1.104 . . . . 0.0 112.473 166.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -87.01 -21.11 26.34 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.27 -38.23 87.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.21 0.914 . . . . 0.0 111.36 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.11 90.17 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 118.683 0.674 . . . . 0.0 110.215 168.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -62.11 -41.82 98.61 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.93 -36.29 75.21 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.477 1.035 . . . . 0.0 112.34 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.6 -45.93 92.01 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -58.19 -38.86 77.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.405 1.882 . . . . 0.0 113.288 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.94 -30.18 68.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.296 1.438 . . . . 0.0 113.696 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -96.46 -41.34 8.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.682 1.193 . . . . 0.0 112.221 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.4 -33.56 54.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.156 0.982 . . . . 0.0 111.85 167.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -57.54 -35.99 71.04 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.93 -45.29 71.18 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.962 -1.086 . . . . 0.0 112.206 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -61.24 -33.77 74.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.184 0.993 . . . . 0.0 112.631 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.15 16.93 10.33 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.693 1.997 . . . . 0.0 115.059 -175.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -45.5 -18.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 118.421 2.748 . . . . 0.0 118.421 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -63.76 124.71 85.77 Favored Pre-proline 0 CA--C 1.553 1.088 0 CA-C-N 119.351 0.978 . . . . 0.0 109.899 168.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.78 -26.95 75.09 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.751 2.301 . . . . 0.0 113.891 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.4 -33.53 30.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.511 1.524 . . . . 0.0 114.369 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -104.11 -39.51 6.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.683 1.993 . . . . 0.0 112.698 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -59.69 -22.05 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -101.19 7.56 43.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.21 1.404 . . . . 0.0 114.027 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -114.48 -44.81 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 110.994 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -15.08 63.41 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.869 1.213 . . . . 0.0 111.956 168.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.53 -36.92 81.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -65.33 -39.41 92.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.172 0.896 . . . . 0.0 112.242 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 77.6 mt -62.15 -53.19 50.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 108.28 169.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 mt -50.45 -41.28 52.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.49 1.496 . . . . 0.0 113.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.36 -46.8 69.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.67 1.123 . . . . 0.0 113.391 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.726 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 33.8 m-20 -59.19 -35.41 73.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.825 1.65 . . . . 0.0 112.675 172.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 5.2 tp10 -87.72 -33.09 18.85 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 110.893 -167.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.96 -32.55 74.1 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 111.732 163.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -59.97 -40.55 89.45 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.11 0.964 . . . . 0.0 112.117 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.742 ' CE1' HG22 ' B' ' 37' ' ' ILE . 57.8 m170 -62.55 -43.11 99.63 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.282 1.033 . . . . 0.0 111.904 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.6 -42.2 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.425 1.09 . . . . 0.0 112.041 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.53 -40.75 83.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.313 0.961 . . . . 0.0 112.558 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.998 ' CE3' HG13 ' B' ' 37' ' ' ILE . 22.1 m0 -75.29 -40.29 58.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.84 0.856 . . . . 0.0 111.9 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.49 -41.93 81.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.602 1.561 . . . . 0.0 113.042 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -25.22 61.98 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.808 0.843 . . . . 0.0 113.245 173.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 m -76.47 -31.18 57.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.379 1.072 . . . . 0.0 111.109 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.571 HD13 ' CG1' ' B' ' 33' ' ' VAL . 62.0 mt -76.82 -17.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.559 1.944 . . . . 0.0 112.745 174.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 124.685 1.194 . . . . 0.0 112.039 174.08 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -58.49 -41.5 85.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.667 0.787 . . . . 0.0 110.827 168.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.47 -35.58 78.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.069 0.948 . . . . 0.0 112.66 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.0 -60.68 2.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.911 0.884 . . . . 0.0 110.487 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -43.76 66.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.23 2.212 . . . . 0.0 111.748 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -67.4 -41.96 84.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.11 -35.15 69.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.154 0.888 . . . . 0.0 112.934 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.448 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 1.5 mm-40 -53.8 -39.48 65.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.271 1.429 . . . . 0.0 111.893 163.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.74 -18.26 35.72 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -68.33 -39.08 82.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.661 1.119 . . . . 0.0 111.447 172.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.97 88.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.71 0.686 . . . . 0.0 110.927 171.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.5 tpt -65.72 -44.66 85.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.937 1.695 . . . . 0.0 111.961 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -65.07 -36.21 83.62 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.602 -1.311 . . . . 0.0 112.492 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.46 -47.36 86.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.997 167.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.23 -33.59 74.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.872 1.669 . . . . 0.0 114.288 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.09 -47.5 71.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.526 1.13 . . . . 0.0 112.403 168.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -91.38 -31.8 15.91 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.93 0.892 . . . . 0.0 112.833 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.63 -32.18 62.94 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.395 1.478 . . . . 0.0 112.846 171.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.4 t -60.23 -38.57 83.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.099 0.96 . . . . 0.0 112.955 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.32 -38.12 51.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.112 1.365 . . . . 0.0 112.559 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -34.27 78.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.587 1.155 . . . . 0.0 113.227 173.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.684 0.794 . . . . 0.0 111.808 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 48.13 17.59 0.12 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.204 2.202 . . . . 0.0 115.565 -172.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -120.63 134.69 24.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.416 1.487 . . . . 0.0 110.75 -170.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -65.83 -26.84 52.01 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.125 2.55 . . . . 0.0 114.11 -166.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -62.24 -46.51 88.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.772 0.796 . . . . 0.0 112.005 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -73.45 -39.31 65.05 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.421 1.488 . . . . 0.0 111.571 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -60.81 -4.33 0.96 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.86 2.064 . . . . 0.0 114.228 172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -123.04 12.47 9.65 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.938 1.695 . . . . 0.0 113.368 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.571 ' CG1' HD13 ' A' ' 51' ' ' ILE . 23.6 t -121.4 -43.71 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.499 1.92 . . . . 0.0 110.691 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -17.06 59.81 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.638 1.108 . . . . 0.0 111.02 170.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -69.83 -39.56 76.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.903 1.281 . . . . 0.0 112.356 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -68.13 -39.01 82.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.428 -0.795 . . . . 0.0 112.938 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.998 HG13 ' CE3' ' A' ' 47' ' ' TRP . 83.9 mt -61.84 -51.3 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.726 167.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.78 -43.46 63.03 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 120.445 1.475 . . . . 0.0 113.571 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.15 -30.67 67.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.884 1.22 . . . . 0.0 113.737 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' HE2' ' A' ' 44' ' ' HIS . 16.6 m-20 -71.87 -34.38 69.15 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.792 1.637 . . . . 0.0 112.754 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.651 ' OE1' ' ND1' ' A' ' 44' ' ' HIS . 6.9 tp10 -93.52 -38.14 11.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.074 1.349 . . . . 0.0 111.09 -161.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.91 -27.86 68.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.431 1.092 . . . . 0.0 111.047 163.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -65.95 -39.08 90.13 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.726 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.7 m170 -59.55 -45.17 92.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.006 0.923 . . . . 0.0 111.232 173.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 44.5 mm -56.9 -44.06 81.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.26 -43.68 78.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 120.176 1.353 . . . . 0.0 112.06 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -72.71 -44.64 61.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.343 0.657 . . . . 0.0 111.421 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.01 -39.94 60.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.854 1.662 . . . . 0.0 112.327 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.48 -44.21 62.6 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.202 1.001 . . . . 0.0 112.597 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -57.72 -26.82 62.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.773 0.829 . . . . 0.0 112.665 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.62 -6.51 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 127.048 2.139 . . . . 0.0 113.297 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.29 1.436 . . . . 0.0 112.001 -169.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -63.08 -38.26 90.47 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 111.265 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.78 -40.99 90.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.506 1.523 . . . . 0.0 112.388 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 63.7 mt -67.36 -55.71 12.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.684 0.793 . . . . 0.0 110.808 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -47.43 45.36 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.221 2.608 . . . . 0.0 112.88 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.97 -48.69 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.33 -33.45 75.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.59 -37.68 70.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.411 1.084 . . . . 0.0 111.971 164.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.73 -19.48 41.36 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -36.07 81.43 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.986 1.266 . . . . 0.0 111.748 174.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.15 81.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.687 0.676 . . . . 0.0 110.896 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 tpp -60.3 -41.53 93.62 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.195 0.998 . . . . 0.0 112.971 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.19 -38.45 75.34 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.249 -0.907 . . . . 0.0 111.771 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB3' HD21 ' B' ' 7' ' ' LEU . 5.3 mt -58.32 -49.72 76.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.242 0.617 . . . . 0.0 111.224 167.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -54.42 -37.56 65.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.766 1.627 . . . . 0.0 114.54 172.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -60.54 -28.47 68.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.746 1.218 . . . . 0.0 113.427 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.46 -36.33 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.057 1.343 . . . . 0.0 112.626 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.74 56.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.048 0.939 . . . . 0.0 111.654 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -56.7 -34.53 67.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.533 1.133 . . . . 0.0 113.622 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -72.38 -44.45 62.52 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.007 -1.058 . . . . 0.0 111.928 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.23 -18.71 63.83 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.649 1.179 . . . . 0.0 113.465 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.72 30.2 7.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.761 2.425 . . . . 0.0 112.616 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -48.83 -25.77 2.05 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.26 133.97 95.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.801 2.04 . . . . 0.0 111.465 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -63.3 -20.23 70.01 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.719 2.279 . . . . 0.0 113.487 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -56.58 -20.34 20.39 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.994 2.118 . . . . 0.0 114.599 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -126.06 -35.05 2.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.067 1.747 . . . . 0.0 113.255 175.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -66.65 2.15 1.47 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -125.68 17.95 8.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.895 1.678 . . . . 0.0 112.662 167.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -121.98 -50.01 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.797 1.639 . . . . 0.0 110.656 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -19.98 65.44 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.406 1.003 . . . . 0.0 110.759 170.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.1 -29.9 71.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.163 1.385 . . . . 0.0 112.785 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -40.43 53.73 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.525 -0.735 . . . . 0.0 110.886 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -61.21 -48.68 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.263 1.025 . . . . 0.0 109.515 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -53.69 -40.67 66.2 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.69 1.132 . . . . 0.0 112.821 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -67.31 -43.83 80.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.951 0.796 . . . . 0.0 113.046 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 11.8 m-20 -60.25 -39.95 88.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.789 1.236 . . . . 0.0 112.18 173.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -74.8 -36.71 62.48 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.278 -0.889 . . . . 0.0 111.176 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.42 -36.2 77.59 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.651 -0.656 . . . . 0.0 111.329 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -66.15 -41.29 90.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.574 0.75 . . . . 0.0 112.534 172.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.405 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 55.9 m170 -61.59 -47.87 83.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.464 1.029 . . . . 0.0 111.521 174.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.14 -42.16 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 124.179 0.992 . . . . 0.0 111.113 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -56.26 -42.53 77.54 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.689 1.131 . . . . 0.0 112.207 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.1 m0 -75.19 -39.09 60.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 112.679 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.06 -41.83 98.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.59 -33.02 74.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.85 1.26 . . . . 0.0 112.058 169.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.2 m -71.3 -33.7 69.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.28 0.562 . . . . 0.0 111.098 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.88 -15.02 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.151 1.78 . . . . 0.0 113.174 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.7 t30 . . . . . 0 CA--C 1.552 1.031 0 C-N-CA 126.475 1.91 . . . . 0.0 113.203 -176.014 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -54.45 -34.65 61.85 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.581 1.152 . . . . 0.0 112.23 167.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.28 -46.44 64.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.477 0.711 . . . . 0.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 17' ' ' LEU . 28.3 mt -59.72 -51.65 68.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.111 0.964 . . . . 0.0 110.792 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.83 -41.45 61.79 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.969 2.508 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -56.75 13.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.97 -32.17 73.62 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.37 0.668 . . . . 0.0 112.556 175.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.63 -38.06 74.37 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.489 1.115 . . . . 0.0 113.277 165.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.35 -19.97 28.99 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 174.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -64.68 -33.92 77.09 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.305 0.957 . . . . 0.0 111.859 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.14 67.02 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.176 0.898 . . . . 0.0 110.676 170.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.87 -36.88 68.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -79.94 -32.05 40.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 6.1 mt -58.03 -47.43 83.11 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.417 162.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -56.88 -42.42 79.79 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.758 1.623 . . . . 0.0 114.256 172.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -61.29 -28.13 68.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -103.27 -37.24 7.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.936 0.894 . . . . 0.0 112.703 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.51 -39.14 60.96 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.735 1.214 . . . . 0.0 111.419 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -65.47 -24.92 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.02 -42.34 57.48 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.02 -1.05 . . . . 0.0 111.198 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -48.99 31.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.421 1.088 . . . . 0.0 111.603 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.55 47.79 0.86 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.52 1.928 . . . . 0.0 112.339 171.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -13.35 9.96 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.27 133.16 95.36 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 126.074 1.75 . . . . 0.0 111.171 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.78 -16.3 45.85 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.37 2.713 . . . . 0.0 114.579 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.23 -64.02 0.99 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 111.15 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -37.48 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.168 0.987 . . . . 0.0 111.539 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -66.65 -0.56 2.96 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t -123.58 16.7 9.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.825 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.88 -50.94 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.869 1.668 . . . . 0.0 109.898 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -19.13 61.54 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.376 -0.828 . . . . 0.0 111.802 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.32 -34.48 68.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.931 0.892 . . . . 0.0 112.438 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -72.83 -35.5 67.3 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.384 -0.822 . . . . 0.0 112.051 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.445 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 88.2 mt -59.87 -57.78 10.15 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-O 117.338 -1.315 . . . . 0.0 108.972 164.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.32 0.5 OUTLIER -59.71 -29.39 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 121.375 1.898 . . . . 0.0 113.523 -173.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.95 -41.16 68.09 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.569 1.077 . . . . 0.0 113.798 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.405 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 11.1 m-20 -61.12 -37.52 83.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.993 1.317 . . . . 0.0 111.996 167.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.69 -36.65 43.27 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.05 1.34 . . . . 0.0 111.72 -169.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.77 -33.11 74.5 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.837 0.855 . . . . 0.0 111.538 167.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -60.24 -37.2 79.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.346 1.058 . . . . 0.0 112.482 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.427 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.1 m170 -65.7 -42.53 91.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.13 0.972 . . . . 0.0 112.279 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.06 -40.21 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.734 0.814 . . . . 0.0 110.598 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.07 -46.13 75.42 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.008 0.822 . . . . 0.0 112.741 171.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -73.58 -40.02 64.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.928 0.891 . . . . 0.0 112.363 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.19 -44.7 83.86 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.969 1.708 . . . . 0.0 111.911 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.29 -31.28 72.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.646 0.779 . . . . 0.0 112.468 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 12.1 m -74.6 -29.07 61.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.913 -0.492 . . . . 0.0 111.62 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.8 -25.1 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.094 1.358 . . . . 0.0 112.96 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 . . . . . 0 CA--C 1.548 0.894 0 C-N-CA 125.804 1.642 . . . . 0.0 112.013 178.217 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.711 1.141 . . . . 0.0 112.099 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.87 -43.29 96.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.909 0.884 . . . . 0.0 112.45 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.96 -49.31 75.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.191 0.996 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.9 65.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.948 2.499 . . . . 0.0 113.291 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.79 -53.22 35.13 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -35.33 79.44 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 112.784 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.1 -43.84 74.37 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.199 1.0 . . . . 0.0 112.431 166.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -84.32 -23.28 30.31 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.6 -35.53 77.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.074 0.852 . . . . 0.0 111.775 172.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.12 74.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.151 0.887 . . . . 0.0 110.808 169.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.53 -40.12 86.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.311 1.044 . . . . 0.0 112.716 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -41.05 80.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.325 -0.86 . . . . 0.0 111.519 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' HB3' HD22 ' B' ' 7' ' ' LEU . 8.3 mt -58.74 -46.98 86.19 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.854 0.862 . . . . 0.0 111.204 171.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -53.21 -43.71 67.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.526 1.53 . . . . 0.0 114.744 168.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -63.35 -31.06 72.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.96 1.254 . . . . 0.0 114.013 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.6 -39.62 13.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.012 0.925 . . . . 0.0 112.178 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.48 61.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 111.63 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 t -59.67 -38.5 81.67 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.497 1.119 . . . . 0.0 113.718 173.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.224 -0.922 . . . . 0.0 110.334 171.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.98 71.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.014 1.326 . . . . 0.0 113.617 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.23 24.75 4.19 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.41 2.284 . . . . 0.0 113.948 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -17.76 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.65 119.5 44.44 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 119.604 1.093 . . . . 0.0 111.1 166.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.94 -16.31 40.9 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.936 3.091 . . . . 0.0 115.506 -156.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.25 -68.61 0.36 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.877 1.271 . . . . 0.0 110.737 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -39.76 64.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.803 1.641 . . . . 0.0 111.854 167.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -56.85 -28.59 61.88 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -95.78 3.23 53.96 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.68 -50.47 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.011 1.324 . . . . 0.0 110.403 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -19.78 65.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.516 1.053 . . . . 0.0 112.694 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -57.52 -39.97 77.72 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.902 0.881 . . . . 0.0 113.218 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.73 -39.84 88.13 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.532 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.55 -47.06 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.418 172.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.284 0.1 OUTLIER -58.72 -38.56 78.6 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.432 1.014 . . . . 0.0 111.898 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -72.73 -36.3 67.74 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.31 0.959 . . . . 0.0 113.328 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -63.87 -40.7 97.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.739 1.215 . . . . 0.0 112.555 168.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.47 -38.18 84.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.553 -0.717 . . . . 0.0 110.167 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.42 -39.61 76.57 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.164 -0.96 . . . . 0.0 112.846 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -64.89 -43.19 93.7 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.565 -0.71 . . . . 0.0 111.853 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -61.23 -42.85 99.32 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.048 0.939 . . . . 0.0 112.308 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.06 -42.58 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 111.252 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.59 -41.99 95.83 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.973 0.806 . . . . 0.0 112.575 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -73.65 -32.91 64.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.452 1.101 . . . . 0.0 112.079 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -48.84 79.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.345 1.058 . . . . 0.0 112.077 173.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -23.31 67.32 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.223 0.609 . . . . 0.0 112.456 172.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -79.84 -30.75 40.45 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.61 0.764 . . . . 0.0 112.333 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.13 -24.03 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.616 1.566 . . . . 0.0 112.801 172.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 125.144 1.378 . . . . 0.0 112.426 168.812 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -66.13 -36.7 83.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.808 0.843 . . . . 0.0 111.811 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.67 -42.96 99.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.383 1.473 . . . . 0.0 112.646 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 17' ' ' LEU . 40.3 mt -62.19 -55.95 23.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -43.49 70.38 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 128.581 2.753 . . . . 0.0 112.716 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.35 -48.55 72.59 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.64 -36.69 85.07 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.203 0.91 . . . . 0.0 112.28 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.89 -37.4 68.81 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.676 1.19 . . . . 0.0 113.448 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -88.56 -24.09 22.97 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -66.97 -35.26 79.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.944 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.3 80.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.306 0.957 . . . . 0.0 110.486 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -43.83 93.56 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.066 0.946 . . . . 0.0 113.009 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.37 -36.45 79.22 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.45 -1.406 . . . . 0.0 112.761 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.44 -42.67 87.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.09 0.556 . . . . 0.0 111.553 167.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.27 -43.13 99.53 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.866 1.666 . . . . 0.0 113.063 175.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -44.59 83.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.988 1.315 . . . . 0.0 111.627 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.09 -35.22 21.96 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.1 -33.94 65.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.284 0.633 . . . . 0.0 111.661 170.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -56.05 -30.92 62.64 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.138 0.975 . . . . 0.0 113.602 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.51 -44.48 74.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.03 -1.044 . . . . 0.0 112.523 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.39 -41.37 76.54 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.681 -0.637 . . . . 0.0 112.253 172.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.16 21.74 0.57 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.109 2.164 . . . . 0.0 114.13 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.03 2.23 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -58.85 130.32 85.91 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.026 0.93 . . . . 0.0 110.142 170.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -62.36 -21.89 73.32 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 122.986 2.457 . . . . 0.0 114.024 -170.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.69 -43.62 98.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 112.738 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.9 -36.79 13.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.422 1.489 . . . . 0.0 112.437 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.12 -29.02 60.08 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -97.42 11.74 35.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.98 -46.37 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.759 1.224 . . . . 0.0 110.421 172.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -18.26 63.39 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.59 1.086 . . . . 0.0 112.532 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.13 -43.0 96.0 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.864 . . . . 0.0 113.09 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -69.44 -36.6 76.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.362 -0.836 . . . . 0.0 112.656 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.3 -52.01 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.886 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.282 0.4 OUTLIER -61.12 -33.69 73.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.383 1.447 . . . . 0.0 112.714 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.95 -37.98 69.86 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.366 -0.834 . . . . 0.0 113.009 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -61.46 -38.48 87.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.535 1.134 . . . . 0.0 112.043 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -70.92 -37.9 72.93 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.135 -0.978 . . . . 0.0 111.567 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.62 -37.75 76.54 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.221 -0.924 . . . . 0.0 111.702 170.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -61.99 -43.62 98.46 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 112.314 171.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -63.09 -43.1 99.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.698 1.136 . . . . 0.0 112.197 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.36 -39.45 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.259 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.84 -45.17 86.63 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.675 1.125 . . . . 0.0 112.535 171.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -72.79 -37.77 67.47 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.537 -0.727 . . . . 0.0 112.389 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.46 -44.76 89.36 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.828 1.651 . . . . 0.0 111.785 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.51 -35.52 77.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.24 0.616 . . . . 0.0 112.172 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -71.15 -21.98 62.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.968 0.507 . . . . 0.0 112.333 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.02 -16.29 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.098 1.759 . . . . 0.0 113.604 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.309 173.895 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.41 69.31 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.527 -1.358 . . . . 0.0 111.864 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.33 -25.1 32.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.853 . . . . 0.0 113.292 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.55 -45.92 5.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 111.866 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -38.74 10.88 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.115 2.166 . . . . 0.0 112.57 172.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -65.41 -53.55 41.47 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.14 -36.11 82.52 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.857 0.863 . . . . 0.0 112.55 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.83 -41.69 71.0 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.839 1.256 . . . . 0.0 111.832 168.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -80.66 -25.8 38.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.03 -34.96 79.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.144 0.884 . . . . 0.0 111.975 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.52 80.21 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.779 169.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -64.01 -36.15 83.06 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.997 1.271 . . . . 0.0 112.802 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -69.71 -40.65 76.14 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.303 1.041 . . . . 0.0 111.876 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD12 HD11 ' B' ' 7' ' ' LEU . 10.0 mt -61.07 -42.67 98.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.071 0.948 . . . . 0.0 112.604 168.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.48 -34.05 76.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.766 1.626 . . . . 0.0 113.117 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -54.06 -43.68 70.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.53 0.732 . . . . 0.0 112.431 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.77 -38.68 21.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.016 0.926 . . . . 0.0 113.033 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.56 -37.53 73.28 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.571 0.749 . . . . 0.0 112.309 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 t -61.14 -41.02 95.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.565 0.746 . . . . 0.0 112.83 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.58 -43.89 71.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.079 -1.013 . . . . 0.0 112.361 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.75 -29.54 67.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.589 1.156 . . . . 0.0 113.192 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.58 -58.06 8.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.604 1.161 . . . . 0.0 112.678 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER 34.81 28.39 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.543 2.337 . . . . 0.0 116.666 -169.092 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -134.86 130.43 19.6 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.621 1.569 . . . . 0.0 110.873 -172.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -67.08 -22.81 46.99 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.517 2.811 . . . . 0.0 114.708 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.06 -27.38 68.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.422 1.089 . . . . 0.0 112.884 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.25 -28.27 5.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.625 1.97 . . . . 0.0 113.913 178.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.58 -21.53 53.33 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.629 1.104 . . . . 0.0 113.965 168.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -103.41 11.07 36.99 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.219 1.408 . . . . 0.0 113.836 174.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -114.64 -44.42 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.914 1.286 . . . . 0.0 110.798 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -18.69 65.5 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.572 1.078 . . . . 0.0 112.499 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -65.17 -34.91 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.076 -1.015 . . . . 0.0 113.704 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -69.07 -39.51 79.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.061 0.846 . . . . 0.0 112.522 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.5 mt -60.06 -49.14 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.176 168.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.12 -40.17 60.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.412 1.46 . . . . 0.0 113.031 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.46 -36.06 63.32 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.82 -43.24 99.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.365 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.78 -33.06 71.89 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.766 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.79 -37.68 85.26 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.085 -1.009 . . . . 0.0 112.661 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -66.49 -37.98 86.26 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.994 0.815 . . . . 0.0 112.164 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -61.6 -46.44 89.84 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 0.0 111.216 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.27 -39.57 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.51 1.124 . . . . 0.0 112.037 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.21 -49.74 68.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.096 1.316 . . . . 0.0 111.649 172.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 26.7 m0 -71.47 -40.05 70.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.13 0.572 . . . . 0.0 111.355 -176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.88 -47.97 81.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.987 1.315 . . . . 0.0 112.38 174.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -32.54 70.54 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.444 -0.785 . . . . 0.0 112.301 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -62.46 -38.46 89.9 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.918 -1.114 . . . . 0.0 113.223 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.8 mm -75.87 -14.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 0.0 112.923 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.559 1.303 0 C-N-CA 126.744 2.018 . . . . 0.0 114.491 176.657 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -63.12 -36.56 84.01 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.51 1.05 . . . . 0.0 111.695 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.46 -48.54 78.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.618 1.567 . . . . 0.0 112.042 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 17' ' ' LEU . 9.5 mp -67.18 -53.57 29.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.104 1.762 . . . . 0.0 112.24 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -47.24 59.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.522 1.929 . . . . 0.0 112.178 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -61.39 -44.21 97.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.53 -38.89 88.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.348 0.977 . . . . 0.0 113.017 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.02 -36.2 65.24 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.715 1.606 . . . . 0.0 112.497 167.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -86.36 -26.51 24.78 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -64.31 -36.45 84.16 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.355 -0.84 . . . . 0.0 111.048 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.86 81.61 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 122.94 0.496 . . . . 0.0 110.148 171.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -39.93 89.28 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.412 1.005 . . . . 0.0 112.287 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.81 0.844 . . . . 0.0 111.622 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.38 -43.42 88.5 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.521 0.728 . . . . 0.0 111.718 167.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.59 -28.25 67.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.658 1.583 . . . . 0.0 113.531 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.31 -47.76 80.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.9 0.773 . . . . 0.0 112.833 167.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -34.89 30.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.764 -174.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.65 64.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.836 1.655 . . . . 0.0 112.138 172.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.85 -40.77 96.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.317 0.647 . . . . 0.0 112.403 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.63 -44.08 65.01 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 120.985 -1.072 . . . . 0.0 112.299 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -70.68 -23.24 62.45 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.21 23.29 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.897 0.879 . . . . 0.0 112.168 164.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER 37.29 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.995 2.118 . . . . 0.0 115.83 -166.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -124.99 127.35 25.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.026 1.73 . . . . 0.0 110.363 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.22 -27.6 41.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.285 2.657 . . . . 0.0 114.225 -165.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.46 -48.23 82.1 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.707 0.803 . . . . 0.0 111.712 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -60.54 -43.23 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.886 1.274 . . . . 0.0 110.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.65 -2.48 0.36 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.861 2.064 . . . . 0.0 115.278 172.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -124.71 10.1 8.35 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.296 1.438 . . . . 0.0 112.996 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.31 -42.46 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.311 1.444 . . . . 0.0 110.802 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -18.11 55.5 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.851 1.205 . . . . 0.0 111.66 173.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -64.47 -42.89 95.64 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.796 0.839 . . . . 0.0 112.135 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.96 -34.99 76.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.463 -0.773 . . . . 0.0 112.483 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.56 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 69.7 mt -64.35 -52.82 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.153 169.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.302 0.4 OUTLIER -60.15 -33.86 72.76 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.185 1.357 . . . . 0.0 112.752 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.7 -36.49 67.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 120.293 1.406 . . . . 0.0 113.847 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.54 -43.56 98.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.161 0.984 . . . . 0.0 111.454 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.28 -34.07 72.34 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.627 -0.671 . . . . 0.0 111.002 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -63.94 -39.64 94.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.594 0.757 . . . . 0.0 112.136 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.358 -0.839 . . . . 0.0 111.609 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.82 -17.36 22.91 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 116.879 -1.534 . . . . 0.0 113.524 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -80.81 -44.45 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 122.188 2.267 . . . . 0.0 109.075 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.1 -34.37 63.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.809 1.244 . . . . 0.0 112.002 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 36.9 m0 -80.02 -41.87 24.92 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.343 1.057 . . . . 0.0 112.329 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -48.58 80.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.791 0.837 . . . . 0.0 112.253 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -27.95 69.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.463 0.705 . . . . 0.0 112.772 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -33.02 71.0 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.221 -0.924 . . . . 0.0 112.487 171.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.42 -18.51 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 113.46 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 125.536 1.534 . . . . 0.0 112.022 173.056 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 119.706 -0.187 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.37 24.97 1.76 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.984 1.314 . . . . 0.0 114.392 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -63.25 -13.98 44.21 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.91 -37.39 60.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.237 1.015 . . . . 0.0 113.385 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -64.84 -38.73 91.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.904 1.282 . . . . 0.0 112.195 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.82 -42.82 85.22 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.469 1.108 . . . . 0.0 111.733 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.76 -54.48 44.64 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.904 0.882 . . . . 0.0 111.545 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -44.09 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.414 1.885 . . . . 0.0 112.24 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -64.35 -44.35 91.72 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.33 -37.77 80.88 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.463 1.029 . . . . 0.0 112.53 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.78 -40.25 66.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.183 1.793 . . . . 0.0 112.01 165.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.58 -23.03 29.83 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -68.49 -36.87 79.53 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.438 1.017 . . . . 0.0 112.019 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.58 89.03 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.629 0.65 . . . . 0.0 109.618 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.8 tpp -60.67 -41.12 94.42 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.221 0.918 . . . . 0.0 112.837 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -37.47 81.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.251 1.02 . . . . 0.0 111.545 177.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.11 -47.1 86.11 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.618 0.767 . . . . 0.0 112.085 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -61.71 -32.68 72.91 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.737 1.615 . . . . 0.0 113.651 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -53.67 -35.66 61.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.633 1.573 . . . . 0.0 112.855 171.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.65 -35.12 11.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.591 1.556 . . . . 0.0 112.489 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.86 60.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 112.013 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 t -56.58 -30.76 63.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.668 1.587 . . . . 0.0 114.401 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.8 -43.2 47.42 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.72 -1.238 . . . . 0.0 112.073 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -68.56 -34.61 76.12 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.626 -0.671 . . . . 0.0 112.508 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 25.63 0.12 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.869 2.068 . . . . 0.0 114.149 172.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -52.28 -25.65 10.0 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.23 125.82 86.39 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.93 1.292 . . . . 0.0 110.509 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.42 -16.18 42.96 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 123.095 2.53 . . . . 0.0 114.33 -165.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -66.35 -51.62 55.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.466 0.706 . . . . 0.0 110.197 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -64.68 -43.57 93.11 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.419 1.488 . . . . 0.0 111.335 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -69.91 7.54 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -126.64 13.02 7.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.661 1.584 . . . . 0.0 112.718 166.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.66 -48.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.676 1.591 . . . . 0.0 110.735 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -16.59 62.09 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.139 1.336 . . . . 0.0 112.006 169.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -66.85 -39.29 87.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.596 1.158 . . . . 0.0 112.307 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.7 mmpt? -70.04 -33.64 72.23 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.651 -0.656 . . . . 0.0 112.654 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.91 -57.93 9.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.4 mt -48.21 -43.11 31.72 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.677 1.581 . . . . 0.0 113.803 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.76 -38.07 76.62 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -68.79 -34.26 75.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.34 1.456 . . . . 0.0 112.798 171.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.73 -32.48 17.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.951 1.7 . . . . 0.0 109.976 -164.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.91 -37.12 81.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.551 1.141 . . . . 0.0 112.254 159.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -35.36 77.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.049 0.94 . . . . 0.0 112.795 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -63.89 -56.92 11.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.03 1.332 . . . . 0.0 111.734 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 mp -42.87 -44.33 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 126.074 1.75 . . . . 0.0 113.17 163.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -40.09 84.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.027 -1.045 . . . . 0.0 113.087 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -80.8 -38.73 27.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.51 1.124 . . . . 0.0 112.264 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.44 -35.89 60.97 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 125.869 1.668 . . . . 0.0 112.069 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -65.52 -41.4 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.652 0.781 . . . . 0.0 113.069 171.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.0 mt -86.57 -22.35 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.602 1.561 . . . . 0.0 113.231 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -64.8 159.54 22.24 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.283 1.433 . . . . 0.0 113.008 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 C-N-CA 126.144 1.83 . . . . 0.0 112.894 -177.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 42.99 49.81 5.29 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.829 2.052 . . . . 0.0 115.649 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -111.45 -3.55 15.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -36.62 14.86 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -166.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -37.44 68.61 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.036 0.835 . . . . 0.0 111.388 169.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.37 -39.51 87.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.819 1.248 . . . . 0.0 112.744 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.01 -58.07 4.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -43.51 76.83 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.459 2.304 . . . . 0.0 112.562 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.83 -45.85 76.97 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -38.42 91.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.993 0.815 . . . . 0.0 112.371 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -42.47 69.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.571 1.548 . . . . 0.0 112.916 168.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -85.56 -23.79 27.49 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.81 -25.25 66.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.45 -0.781 . . . . 0.0 111.917 171.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -51.03 17.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.285 0.948 . . . . 0.0 110.019 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -50.5 -43.57 55.7 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.712 1.142 . . . . 0.0 113.125 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.96 -33.96 68.59 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.059 -1.026 . . . . 0.0 112.946 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.17 -40.26 95.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.197 0.453 . . . . 0.0 111.084 168.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.36 -33.06 74.98 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.685 1.594 . . . . 0.0 112.977 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -61.08 -49.98 75.13 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.791 1.178 . . . . 0.0 113.16 168.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.99 -40.26 63.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.727 0.811 . . . . 0.0 111.947 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.6 -38.8 72.54 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.878 0.871 . . . . 0.0 111.713 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.99 -34.64 76.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.752 1.16 . . . . 0.0 113.297 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.01 -41.83 99.66 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.09 -1.006 . . . . 0.0 112.352 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -73.84 -43.66 57.99 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.593 1.157 . . . . 0.0 112.324 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.71 26.98 0.17 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.582 2.353 . . . . 0.0 114.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -56.09 -18.34 9.49 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.76 134.37 86.54 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.518 1.527 . . . . 0.0 111.501 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.04 -22.34 55.13 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.125 2.55 . . . . 0.0 114.713 -168.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.06 -61.8 2.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.665 1.186 . . . . 0.0 111.436 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.09 -38.89 75.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.763 0.825 . . . . 0.0 111.981 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.14 -18.65 49.12 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -108.04 9.41 28.45 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.771 1.228 . . . . 0.0 113.813 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -114.58 -43.9 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.565 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -18.99 61.49 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.649 1.113 . . . . 0.0 112.011 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.33 -32.56 74.03 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 112.917 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.07 -42.6 66.01 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.428 -0.795 . . . . 0.0 111.241 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.91 -46.72 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 118.793 -0.623 . . . . 0.0 110.113 168.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.13 -46.52 68.83 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.954 1.252 . . . . 0.0 112.628 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.22 -37.09 77.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -61.31 -40.6 94.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.635 1.174 . . . . 0.0 112.15 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.54 -38.73 71.02 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.267 -0.896 . . . . 0.0 111.116 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.72 -35.98 75.64 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.554 -0.716 . . . . 0.0 111.456 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -59.22 -47.17 86.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.284 1.034 . . . . 0.0 112.114 170.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -63.25 -42.31 99.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.512 1.051 . . . . 0.0 111.935 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.63 -37.92 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.635 1.174 . . . . 0.0 111.465 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.92 -48.24 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.48 1.036 . . . . 0.0 111.901 170.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -69.84 -40.4 75.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.167 0.587 . . . . 0.0 111.947 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.88 -41.93 75.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.619 1.567 . . . . 0.0 111.92 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.9 -45.3 82.5 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.4 m -59.11 -27.69 65.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.087 0.955 . . . . 0.0 113.431 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.75 -18.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 0.0 113.786 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -67.01 145.82 55.0 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.044 0.937 . . . . 0.0 111.879 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.276 -1.291 . . . . 0.0 113.292 -179.516 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.64 -34.62 74.54 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -165.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' B' ' 24' ' ' LYS . 29.0 p90 -145.8 20.99 1.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -174.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt -121.04 -48.24 2.24 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.855 1.262 . . . . 0.0 111.935 -170.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -31.29 72.08 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.367 0.667 . . . . 0.0 111.604 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.27 -38.71 87.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.895 1.278 . . . . 0.0 112.854 171.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD22 HD12 ' B' ' 17' ' ' LEU . 76.5 mt -67.07 -52.19 45.21 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.29 1.036 . . . . 0.0 111.02 176.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -44.82 -47.28 10.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 112.748 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -66.45 -43.26 86.04 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -71.52 -31.48 67.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.896 0.878 . . . . 0.0 112.684 172.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.2 -39.73 72.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.604 1.562 . . . . 0.0 111.911 163.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -78.25 -24.75 46.76 Favored 'General case' 0 C--N 1.342 0.283 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -61.37 -34.0 74.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.514 1.052 . . . . 0.0 112.061 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.38 78.36 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.845 0.748 . . . . 0.0 111.021 171.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.46 89.66 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.289 0.95 . . . . 0.0 112.772 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -42.74 88.65 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.097 0.959 . . . . 0.0 111.782 174.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 112.268 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.04 -34.8 73.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.26 1.424 . . . . 0.0 113.487 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.08 67.28 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 174.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -92.74 -37.02 12.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.266 1.426 . . . . 0.0 112.52 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.08 72.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.029 0.932 . . . . 0.0 112.299 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -62.7 -36.06 81.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -75.07 -37.8 61.48 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.347 -0.846 . . . . 0.0 112.342 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.92 -40.57 98.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.576 1.15 . . . . 0.0 112.453 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -65.08 0.72 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.679 1.192 . . . . 0.0 112.106 173.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 44.29 23.48 0.07 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.254 2.221 . . . . 0.0 115.468 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -130.73 132.59 24.03 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.083 1.753 . . . . 0.0 109.731 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.37 -25.27 42.25 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.77 2.313 . . . . 0.0 114.179 -164.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.18 -51.51 68.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.577 0.751 . . . . 0.0 111.456 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HE2' HD11 ' B' ' 51' ' ' ILE . 12.8 mmtp -63.53 -42.3 98.45 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.712 1.205 . . . . 0.0 111.557 171.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -63.96 -8.89 12.83 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -114.21 12.24 17.68 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.409 1.484 . . . . 0.0 113.386 170.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -120.08 -37.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.768 1.627 . . . . 0.0 111.612 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -19.9 48.49 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.935 1.243 . . . . 0.0 112.325 168.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -65.57 -40.6 92.96 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.052 -1.03 . . . . 0.0 112.594 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HE3' ' CE3' ' B' ' 47' ' ' TRP . 50.7 pttt -65.13 -32.16 73.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.12 -47.33 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.834 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.33 -39.47 72.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.97 1.259 . . . . 0.0 113.235 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.6 -33.2 70.78 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.88 -41.25 91.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.93 -36.9 70.06 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.048 -1.032 . . . . 0.0 111.2 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.76 -35.32 79.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.442 -0.787 . . . . 0.0 111.761 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.28 98.46 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.621 -0.675 . . . . 0.0 111.981 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' HG12 ' B' ' 37' ' ' ILE . 54.1 m170 -61.68 -44.78 96.29 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.909 0.883 . . . . 0.0 111.466 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.89 -38.66 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.922 0.889 . . . . 0.0 112.114 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -46.31 85.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.14 1.336 . . . . 0.0 112.092 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 16.0 m0 -73.34 -41.3 63.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.789 -0.57 . . . . 0.0 111.896 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.95 -45.14 87.1 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.344 1.458 . . . . 0.0 111.551 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.27 -43.9 97.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.401 0.68 . . . . 0.0 111.972 172.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -60.59 -29.14 69.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.74 0.816 . . . . 0.0 113.189 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.2 -23.17 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.0 1.72 . . . . 0.0 113.501 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -76.16 170.43 16.32 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.64 1.576 . . . . 0.0 112.458 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.509 1.528 . . . . 0.0 112.632 178.269 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 54.98 42.95 30.62 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.504 1.121 . . . . 0.0 112.911 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -51.08 -36.3 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -166.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.87 -11.4 37.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 127.54 2.336 . . . . 0.0 116.314 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -107.52 -39.53 5.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.933 2.093 . . . . 0.0 108.63 -167.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.39 -51.04 61.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.804 157.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.309 0.1 OUTLIER -62.7 -47.31 84.16 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -41.65 62.79 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.293 1.837 . . . . 0.0 112.392 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.87 -50.68 65.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -37.74 84.74 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 170.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.76 -35.07 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.72 1.208 . . . . 0.0 112.9 166.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -90.69 -24.05 20.55 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -68.54 -33.39 74.02 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.075 -1.015 . . . . 0.0 111.598 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.93 93.69 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.683 0.674 . . . . 0.0 110.297 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -62.76 -43.51 98.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -61.79 -40.83 96.58 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.476 -0.765 . . . . 0.0 112.334 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 7' ' ' LEU . 1.4 mt -60.21 -42.31 94.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 169.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.53 -31.59 72.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.299 1.44 . . . . 0.0 113.324 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -58.67 -49.07 78.91 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 111.545 170.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -71.58 -40.96 69.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.29 0.636 . . . . 0.0 112.192 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -32.63 61.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.933 172.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -64.34 -33.37 75.7 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.604 1.093 . . . . 0.0 113.271 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -71.32 -40.04 71.02 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.046 -1.034 . . . . 0.0 112.354 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -64.81 -43.3 93.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.336 0.655 . . . . 0.0 111.094 171.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.78 36.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.237 2.615 . . . . 0.0 113.836 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -55.96 -22.28 25.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.53 133.85 95.82 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.192 1.397 . . . . 0.0 111.31 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.5 -18.86 49.22 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.265 2.643 . . . . 0.0 114.542 -171.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.2 -58.87 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.069 0.85 . . . . 0.0 110.323 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -59.61 -42.33 92.38 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.372 1.069 . . . . 0.0 111.093 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -63.68 -4.22 2.88 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 18.6 m -118.9 9.31 11.92 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 113.433 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -113.74 -47.49 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.469 1.507 . . . . 0.0 110.21 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -19.84 60.96 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.469 1.032 . . . . 0.0 111.677 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.11 -32.38 73.48 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.372 -0.83 . . . . 0.0 112.841 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -70.0 -41.41 74.39 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.431 -0.793 . . . . 0.0 111.871 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.55 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 69.5 mt -61.91 -48.4 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.67 0.788 . . . . 0.0 109.581 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.48 -45.37 66.13 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.606 1.094 . . . . 0.0 112.393 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.35 -40.0 77.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -62.09 -39.73 93.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 112.318 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 35.6 mm-40 -71.67 -38.48 70.63 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.607 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.07 -38.82 80.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.429 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -57.76 -46.61 84.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.66 1.184 . . . . 0.0 112.301 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -61.95 -42.03 98.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.155 0.982 . . . . 0.0 111.933 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -36.93 78.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.251 1.02 . . . . 0.0 111.602 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.21 -46.32 86.06 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.871 1.669 . . . . 0.0 112.045 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . 0.538 ' CE3' ' HE3' ' A' ' 36' ' ' LYS . 18.8 m0 -72.35 -40.87 67.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.49 0.716 . . . . 0.0 111.823 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.86 -44.48 86.61 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.443 1.497 . . . . 0.0 112.18 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.44 -43.95 97.58 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.21 0.604 . . . . 0.0 111.77 170.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -61.23 -28.39 69.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.4 HD11 ' HE2' ' A' ' 30' ' ' LYS . 32.6 mm -93.49 -21.22 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.563 1.545 . . . . 0.0 113.695 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -83.0 60.06 5.25 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.461 1.505 . . . . 0.0 112.271 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 C-N-CA 125.278 1.418 . . . . 0.0 112.915 179.746 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.548 0.214 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.8 59.56 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.857 1.663 . . . . 0.0 112.658 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.95 -25.01 0.62 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.23 -32.9 74.8 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.539 1.135 . . . . 0.0 113.605 -166.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.61 -34.25 64.95 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.516 1.126 . . . . 0.0 111.939 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.7 -40.69 97.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.557 1.143 . . . . 0.0 111.334 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.12 -55.08 39.54 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.082 0.953 . . . . 0.0 111.399 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.44 84.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.092 2.557 . . . . 0.0 113.684 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -66.64 -54.11 26.85 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.494 -0.754 . . . . 0.0 112.838 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.33 -31.98 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.815 0.846 . . . . 0.0 113.043 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.585 ' OE1' ' OE2' ' B' ' 41' ' ' GLU . 2.1 mm-40 -57.68 -40.49 79.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.266 1.027 . . . . 0.0 112.9 165.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.82 -19.07 31.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -64.17 -37.79 88.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.221 -0.924 . . . . 0.0 111.601 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.79 95.07 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.216 0.462 . . . . 0.0 110.287 170.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.86 0.864 . . . . 0.0 113.219 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -63.2 -45.0 93.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.737 0.699 . . . . 0.0 111.61 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.848 HD21 HD13 ' B' ' 7' ' ' LEU . 1.1 mt -58.78 -45.79 89.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 172.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.32 -41.56 89.4 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.469 1.907 . . . . 0.0 112.887 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -64.86 -31.41 72.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.099 0.863 . . . . 0.0 112.827 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -87.36 -38.73 15.93 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.504 1.121 . . . . 0.0 112.313 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.93 75.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.823 0.849 . . . . 0.0 111.777 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -27.4 68.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.364 1.065 . . . . 0.0 113.625 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.27 -48.1 45.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.176 -0.953 . . . . 0.0 111.377 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -66.62 -46.5 75.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.369 0.668 . . . . 0.0 111.533 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.92 44.63 0.94 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.032 1.733 . . . . 0.0 112.608 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -15.55 27.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -63.85 132.94 95.4 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 126.457 1.903 . . . . 0.0 111.319 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.77 -18.14 57.66 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.627 2.885 . . . . 0.0 114.526 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.86 -29.34 69.47 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.181 0.901 . . . . 0.0 113.005 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.37 -36.39 5.8 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.055 1.742 . . . . 0.0 113.009 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -65.49 -3.99 5.2 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 m -116.85 12.83 14.88 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.996 1.319 . . . . 0.0 113.351 168.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.976 HG13 HD13 ' B' ' 51' ' ' ILE . 29.4 t -117.63 -50.38 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.937 1.695 . . . . 0.0 110.194 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -19.2 64.04 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.259 0.936 . . . . 0.0 111.746 171.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -61.5 -34.82 76.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.059 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.11 61.56 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.193 0.997 . . . . 0.0 111.824 -177.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.399 HG13 ' CE3' ' B' ' 47' ' ' TRP . 78.6 mt -64.0 -45.17 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.373 0.669 . . . . 0.0 109.526 167.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -54.76 -39.79 68.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.086 1.312 . . . . 0.0 113.088 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.28 0.946 . . . . 0.0 112.399 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.561 ' HB2' ' HE2' ' B' ' 44' ' ' HIS . 27.4 m-20 -60.78 -38.99 87.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 0.0 112.325 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.904 ' OE2' ' CE1' ' B' ' 44' ' ' HIS . 51.6 mm-40 -76.18 -38.3 56.76 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.922 -1.111 . . . . 0.0 111.323 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.64 -35.84 75.19 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.442 -0.786 . . . . 0.0 111.539 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -63.66 -39.78 95.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.9 0.88 . . . . 0.0 112.539 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.798 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 56.0 m170 -63.68 -48.23 78.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 119.513 1.052 . . . . 0.0 111.595 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.02 -37.4 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.389 0.675 . . . . 0.0 112.044 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.07 -49.02 74.98 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.521 1.055 . . . . 0.0 112.682 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.788 ' CH2' ' HB3' ' B' ' 36' ' ' LYS . 33.2 m0 -72.22 -39.88 68.19 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.535 -0.728 . . . . 0.0 112.258 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.19 -28.22 51.48 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.822 1.649 . . . . 0.0 113.375 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -40.61 15.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.827 0.851 . . . . 0.0 110.534 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -57.29 -25.72 59.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 0.0 112.775 170.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.9 mt -94.1 -5.8 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 126.939 2.095 . . . . 0.0 112.875 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -129.57 56.78 1.69 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.179 1.792 . . . . 0.0 112.517 -169.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 C-N-CA 125.233 1.396 . . . . 0.0 113.933 172.474 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.161 0.505 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -156.69 169.05 25.6 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.91 1.684 . . . . 0.0 109.854 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 46.52 67.42 0.77 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.712 1.605 . . . . 0.0 113.321 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' B' ' 5' ' ' ARG . 1.3 pp -139.55 -62.02 0.53 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.955 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.413 ' H ' ' HG ' ' B' ' 4' ' ' LEU . 3.0 ppt_? -59.35 -29.0 67.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.327 1.051 . . . . 0.0 113.042 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -71.3 -48.38 51.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.473 1.109 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.848 HD13 HD21 ' A' ' 17' ' ' LEU . 9.9 mp -64.87 -47.4 77.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.237 1.415 . . . . 0.0 112.227 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -45.54 -37.2 5.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.968 2.507 . . . . 0.0 114.548 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.19 -55.38 12.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.85 -36.05 81.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.309 1.044 . . . . 0.0 112.261 171.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.29 -39.49 75.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.156 1.383 . . . . 0.0 111.839 170.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -85.95 -19.81 29.89 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.44 -34.68 78.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.015 0.825 . . . . 0.0 112.229 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -43.05 77.77 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 118.664 0.665 . . . . 0.0 110.31 171.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.01 -40.71 94.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.352 0.978 . . . . 0.0 112.67 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -64.06 -41.01 97.5 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.283 -0.886 . . . . 0.0 112.338 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.67 -44.36 96.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.134 0.574 . . . . 0.0 112.126 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -63.96 -34.01 77.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.97 0.908 . . . . 0.0 112.942 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -39.78 27.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.805 0.73 . . . . 0.0 112.525 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.45 66.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.569 1.148 . . . . 0.0 112.082 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.1 t -60.91 -34.44 74.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.231 1.012 . . . . 0.0 112.912 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -72.11 -42.74 65.74 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.988 -1.07 . . . . 0.0 112.04 173.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -30.06 67.02 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.708 1.203 . . . . 0.0 113.339 169.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 39.04 3.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.581 1.952 . . . . 0.0 112.739 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -20.09 5.97 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.42 134.92 85.38 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.168 1.387 . . . . 0.0 111.917 171.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.45 -23.16 51.04 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.062 2.508 . . . . 0.0 114.381 -172.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.01 -56.03 25.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.615 0.766 . . . . 0.0 112.116 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -67.89 -37.23 81.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.616 0.767 . . . . 0.0 112.448 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -62.2 -2.58 1.01 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.3 t -122.18 19.7 10.67 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 112.942 168.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.15 -47.87 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.672 1.989 . . . . 0.0 110.649 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -19.4 62.54 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.586 1.085 . . . . 0.0 111.255 169.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -67.95 -33.24 74.29 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 112.63 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.788 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 9.0 mmtp -68.55 -39.99 80.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.479 0.711 . . . . 0.0 112.632 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.455 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 70.4 mt -64.18 -48.56 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.179 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.26 -41.65 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.101 1.319 . . . . 0.0 113.005 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.29 -46.42 80.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.06 0.845 . . . . 0.0 113.23 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.798 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 26.5 m-20 -59.02 -41.88 88.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.54 1.136 . . . . 0.0 111.933 173.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.643 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 45.0 mm-40 -74.47 -39.07 62.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 111.016 -176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.63 -36.59 79.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.582 -0.699 . . . . 0.0 111.569 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -63.15 -42.86 99.54 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.309 0.644 . . . . 0.0 112.488 173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.904 ' CE1' ' OE2' ' A' ' 41' ' ' GLU . 52.5 m170 -60.38 -46.3 90.45 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.311 0.96 . . . . 0.0 111.602 174.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.94 -40.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.982 0.913 . . . . 0.0 110.946 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.86 -43.32 90.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.652 0.66 . . . . 0.0 112.044 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . 1.399 ' CE3' HG13 ' A' ' 37' ' ' ILE . 24.8 m0 -72.83 -42.1 64.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.829 0.852 . . . . 0.0 111.958 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.59 -43.16 84.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.724 1.61 . . . . 0.0 112.237 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -40.18 77.04 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.592 0.757 . . . . 0.0 111.841 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.2 m -59.9 -29.82 68.61 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.515 -0.741 . . . . 0.0 112.9 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.976 HD13 HG13 ' A' ' 33' ' ' VAL . 41.7 mt -91.08 -12.16 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.75 2.02 . . . . 0.0 113.14 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -73.02 129.51 38.26 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.837 1.255 . . . . 0.0 112.161 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.591 1.567 . . . . 0.0 112.856 178.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . 0.643 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.0 164.36 12.92 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.972 0.909 . . . . 0.0 112.598 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -119.96 -9.57 9.63 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -166.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.584 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 2.4 mt -68.64 -46.69 68.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.482 -0.761 . . . . 0.0 111.87 -168.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -56.6 -33.45 66.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.409 1.484 . . . . 0.0 112.975 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.02 -47.02 84.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.919 0.887 . . . . 0.0 112.22 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.21 -55.58 23.8 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 112.235 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.57 45.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.687 2.395 . . . . 0.0 112.596 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -67.11 -43.5 82.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.19 -35.78 78.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.766 0.826 . . . . 0.0 112.68 173.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -43.31 67.33 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.494 1.517 . . . . 0.0 112.124 164.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.85 -21.74 43.77 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.21 -35.58 81.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.924 1.238 . . . . 0.0 111.984 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.08 67.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.105 0.866 . . . . 0.0 110.734 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 tpt -57.4 -40.41 78.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.33 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -41.59 79.46 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.877 -1.139 . . . . 0.0 110.431 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.46 -42.96 97.27 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.423 0.689 . . . . 0.0 111.82 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -59.71 -37.62 79.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.121 1.768 . . . . 0.0 113.858 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.14 -41.98 89.58 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.951 0.9 . . . . 0.0 112.673 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -94.9 -27.89 15.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.352 1.061 . . . . 0.0 113.591 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.02 70.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.692 1.197 . . . . 0.0 111.65 166.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -57.04 -31.56 65.28 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 169.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.58 -39.99 84.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.0 -1.062 . . . . 0.0 112.418 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -49.95 56.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.198 0.599 . . . . 0.0 110.816 171.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.63 34.92 0.06 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 128.211 2.605 . . . . 0.0 114.195 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -57.3 -23.76 50.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.086 1.754 . . . . 0.0 114.441 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.33 129.05 93.04 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.741 1.217 . . . . 0.0 110.552 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.35 -21.65 60.91 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.143 2.562 . . . . 0.0 114.187 -170.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.76 -46.79 80.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.967 0.803 . . . . 0.0 111.717 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -34.39 64.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.815 1.646 . . . . 0.0 112.165 171.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -59.33 -48.79 80.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.803 0.841 . . . . 0.0 110.819 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -77.64 7.96 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.39 -53.21 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.77 1.228 . . . . 0.0 110.395 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -68.15 -21.92 64.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.138 1.335 . . . . 0.0 112.606 174.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.86 -33.0 74.71 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.519 1.054 . . . . 0.0 113.257 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -68.08 -38.75 82.73 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.668 1.122 . . . . 0.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.42 -52.46 60.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.29 165.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.328 0.2 OUTLIER -56.19 -35.24 67.04 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.16 1.8 . . . . 0.0 112.872 -178.28 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.1 -42.87 83.84 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.166 -0.959 . . . . 0.0 113.493 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -63.34 -36.68 84.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.021 1.328 . . . . 0.0 112.451 171.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -84.36 -33.37 23.85 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.162 0.985 . . . . 0.0 110.516 -165.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.85 -36.12 78.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.109 0.964 . . . . 0.0 112.219 164.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.9 -37.51 87.88 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.033 0.933 . . . . 0.0 112.964 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -60.74 -42.97 98.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.434 1.094 . . . . 0.0 112.139 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.81 -36.29 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.21 1.004 . . . . 0.0 111.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.84 -43.17 99.39 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.152 1.342 . . . . 0.0 112.688 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -69.96 -41.44 74.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.449 0.699 . . . . 0.0 111.771 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.26 -41.79 72.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.326 1.45 . . . . 0.0 111.405 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -63.53 -47.55 81.17 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.836 0.854 . . . . 0.0 112.467 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -57.43 -26.56 61.35 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.52 -10.74 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.236 1.814 . . . . 0.0 113.906 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.64 57.09 1.04 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.025 1.33 . . . . 0.0 111.794 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 C-N-CA 125.222 1.391 . . . . 0.0 113.804 171.832 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 119.906 -0.092 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -91.94 76.63 5.5 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.033 1.733 . . . . 0.0 113.181 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -134.84 32.62 3.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.911 1.284 . . . . 0.0 113.917 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.67 -50.71 0.98 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -57.51 -43.0 83.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.803 1.183 . . . . 0.0 111.216 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.32 -47.43 81.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.024 1.33 . . . . 0.0 112.573 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.41 -56.96 12.05 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.988 1.315 . . . . 0.0 111.198 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -45.06 68.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.736 2.014 . . . . 0.0 112.663 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -68.88 -39.13 79.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.8 -40.09 76.18 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.833 0.853 . . . . 0.0 112.414 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -38.6 56.19 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.434 1.494 . . . . 0.0 111.612 166.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -85.56 -26.41 26.18 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -69.07 -38.84 79.25 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.224 -0.922 . . . . 0.0 111.522 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.79 86.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.54 0.609 . . . . 0.0 110.592 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.0 tpt -63.87 -42.48 97.51 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.884 0.766 . . . . 0.0 112.369 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.59 -45.64 81.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.324 0.65 . . . . 0.0 111.643 168.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.26 -40.69 91.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.505 1.522 . . . . 0.0 113.829 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -59.67 -41.63 91.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.392 1.077 . . . . 0.0 112.56 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.32 -38.31 26.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.01 0.924 . . . . 0.0 112.987 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.2 65.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.658 -0.686 . . . . 0.0 112.029 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -59.29 -32.17 69.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.835 1.198 . . . . 0.0 113.14 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.12 -44.45 47.05 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.108 -0.995 . . . . 0.0 111.918 170.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -65.05 -27.86 69.08 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.593 1.157 . . . . 0.0 113.753 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.89 31.71 3.76 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.866 2.466 . . . . 0.0 112.58 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -13.58 3.78 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -169.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -58.7 127.25 82.19 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.376 1.07 . . . . 0.0 109.949 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.02 -26.39 73.84 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.797 2.332 . . . . 0.0 113.834 -171.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.0 -49.39 77.0 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.134 0.973 . . . . 0.0 112.261 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.584 ' HZ3' HD23 ' A' ' 4' ' ' LEU . 60.2 tttt -81.18 -40.34 24.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.15 1.78 . . . . 0.0 112.533 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -58.31 -24.61 60.16 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -98.2 5.84 48.06 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.68 -46.93 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.22 1.408 . . . . 0.0 110.51 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.6 OUTLIER -68.76 -19.3 64.32 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.654 1.115 . . . . 0.0 112.752 172.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.74 -41.31 95.11 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.99 -35.67 78.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.32 0.963 . . . . 0.0 112.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.95 -51.36 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.441 169.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.292 0.3 OUTLIER -61.17 -35.03 76.02 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.671 1.123 . . . . 0.0 112.391 -177.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.18 -40.16 78.27 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.114 -0.991 . . . . 0.0 112.928 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.03 -38.12 87.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.293 1.037 . . . . 0.0 112.112 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -70.97 -38.92 72.79 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.186 -0.946 . . . . 0.0 111.321 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.26 -38.02 73.25 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.505 -0.747 . . . . 0.0 111.661 171.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -67.36 -39.06 85.69 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -62.58 -45.95 90.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 119.809 1.186 . . . . 0.0 111.373 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.96 -39.89 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 112.12 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -55.48 -49.01 73.64 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.693 1.133 . . . . 0.0 111.811 172.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -72.31 -37.79 68.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.944 0.498 . . . . 0.0 112.011 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.76 -44.32 81.67 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.816 1.646 . . . . 0.0 112.443 172.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.59 -43.64 96.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.137 0.575 . . . . 0.0 112.094 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -61.87 -30.59 70.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.256 1.022 . . . . 0.0 112.526 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -86.95 -13.64 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.054 1.741 . . . . 0.0 113.441 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -106.79 69.01 0.75 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.389 1.475 . . . . 0.0 111.821 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.744 1.64 . . . . 0.0 112.84 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.5 mtp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.484 0.183 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.34 16.08 10.55 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.656 1.583 . . . . 0.0 114.348 -163.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -59.38 -25.59 64.4 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.21 -36.74 84.64 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -70.38 -40.14 74.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.558 0.743 . . . . 0.0 111.53 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.93 -40.04 87.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.766 1.226 . . . . 0.0 111.245 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 0.1 OUTLIER -63.02 -56.15 19.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.387 1.875 . . . . 0.0 111.376 175.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -41.62 68.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.378 2.271 . . . . 0.0 112.771 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.33 -47.55 70.17 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.88 -37.71 85.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.72 0.808 . . . . 0.0 112.324 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -37.67 70.23 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.81 1.644 . . . . 0.0 113.466 168.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -86.08 -20.94 28.0 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.27 -31.32 72.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 118.385 -0.816 . . . . 0.0 112.538 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.77 64.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.943 1.247 . . . . 0.0 111.837 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 mtp -63.17 -42.27 99.36 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.634 1.106 . . . . 0.0 112.694 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -64.34 -40.99 96.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.708 0.803 . . . . 0.0 111.159 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.4 -45.32 94.83 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.593 1.157 . . . . 0.0 112.375 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -61.46 -33.01 73.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.639 1.175 . . . . 0.0 113.279 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -39.99 73.9 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.149 1.38 . . . . 0.0 111.914 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -88.62 -37.83 15.31 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.734 1.214 . . . . 0.0 113.067 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -29.74 60.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.708 0.803 . . . . 0.0 112.253 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -57.79 -36.18 71.83 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.427 1.091 . . . . 0.0 113.093 170.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.2 -42.67 72.07 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.152 -0.968 . . . . 0.0 112.355 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -38.88 88.35 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 113.156 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.02 24.89 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.989 2.116 . . . . 0.0 114.29 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.81 1.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -68.48 131.43 91.62 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.927 1.691 . . . . 0.0 111.618 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.65 -28.78 77.07 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.257 2.638 . . . . 0.0 114.428 -167.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.76 -27.56 51.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.644 1.578 . . . . 0.0 114.449 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -31.77 5.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.636 1.975 . . . . 0.0 113.201 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.83 -29.54 62.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.888 0.875 . . . . 0.0 113.167 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -96.87 10.63 38.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.798 1.239 . . . . 0.0 114.076 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.08 -48.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.944 1.298 . . . . 0.0 110.21 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -22.48 64.86 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.498 1.044 . . . . 0.0 112.659 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.6 -33.46 75.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.035 0.934 . . . . 0.0 112.985 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -73.76 -37.09 65.14 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.438 -0.788 . . . . 0.0 112.351 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.42 -52.36 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 117.865 -1.064 . . . . 0.0 108.932 166.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -48.31 -42.18 30.31 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.138 1.335 . . . . 0.0 112.837 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.29 -39.16 82.18 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -68.51 -34.31 75.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.337 1.855 . . . . 0.0 113.134 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -39.11 23.34 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.436 1.894 . . . . 0.0 108.049 -169.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.81 -35.23 74.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 112.457 164.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -62.53 -42.48 99.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.52 -0.737 . . . . 0.0 111.847 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -61.64 -44.24 97.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.92 0.888 . . . . 0.0 111.364 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.15 -39.07 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 112.04 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.787 1.176 . . . . 0.0 112.802 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -72.3 -41.32 66.76 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.557 0.743 . . . . 0.0 111.468 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.53 -39.25 70.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.939 1.696 . . . . 0.0 112.307 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.92 -47.18 81.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.929 0.892 . . . . 0.0 112.048 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -17.88 64.28 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.4 mt -91.18 -13.97 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.52 1.928 . . . . 0.0 113.468 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -115.48 25.0 11.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.923 1.289 . . . . 0.0 113.842 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.234 0 CA-C-O 118.184 -1.342 . . . . 0.0 113.732 169.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -146.79 117.14 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.583 1.083 . . . . 0.0 111.455 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -170.81 35.25 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.482 1.913 . . . . 0.0 112.627 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.75 -59.64 1.2 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -173.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -60.92 -33.95 73.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.964 1.256 . . . . 0.0 112.081 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.78 -48.58 66.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.303 1.441 . . . . 0.0 112.197 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.69 -51.16 36.97 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.609 1.564 . . . . 0.0 112.274 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -40.94 60.24 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.516 1.927 . . . . 0.0 112.314 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -60.56 -52.36 65.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.07 -36.34 81.81 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.838 0.855 . . . . 0.0 111.779 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.2 -34.77 61.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.015 164.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -93.24 -21.75 19.43 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.188 -0.945 . . . . 0.0 111.501 170.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.35 92.33 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.612 0.642 . . . . 0.0 110.369 169.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -60.43 -42.02 95.2 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.324 1.05 . . . . 0.0 112.841 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -40.47 86.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.385 -0.822 . . . . 0.0 112.838 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.88 -44.35 94.24 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -59.42 -42.01 90.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.163 2.185 . . . . 0.0 113.589 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -59.74 -42.85 94.09 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.347 1.059 . . . . 0.0 112.329 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.73 -33.94 27.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.979 0.912 . . . . 0.0 112.806 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.76 71.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.241 1.016 . . . . 0.0 111.186 168.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -57.56 -32.71 67.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.266 1.026 . . . . 0.0 113.186 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.46 -44.74 70.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.284 -0.885 . . . . 0.0 112.249 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -65.78 -41.67 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.26 0.624 . . . . 0.0 112.3 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.62 28.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.789 2.436 . . . . 0.0 113.496 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -14.1 45.07 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.63 126.76 83.64 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.288 1.035 . . . . 0.0 109.754 167.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.33 -18.59 55.55 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.065 2.51 . . . . 0.0 114.229 -168.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -62.02 -56.28 20.6 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.351 0.978 . . . . 0.0 110.649 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -69.34 -40.72 77.38 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.349 1.46 . . . . 0.0 112.248 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -57.78 -20.83 38.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.742 1.217 . . . . 0.0 113.683 173.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -105.69 8.83 33.2 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.787 1.235 . . . . 0.0 113.967 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.1 t -114.31 -44.44 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.327 1.451 . . . . 0.0 110.811 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -17.37 62.48 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.868 1.213 . . . . 0.0 112.171 172.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -36.85 83.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.314 1.046 . . . . 0.0 113.255 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.16 -40.09 78.38 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.825 -0.547 . . . . 0.0 111.965 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 65.3 mt -65.27 -46.5 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.79 171.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.86 -42.79 65.55 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.617 1.098 . . . . 0.0 112.491 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -69.86 -40.66 75.62 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.81 -39.63 89.68 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.539 1.135 . . . . 0.0 112.306 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -73.84 -37.35 64.85 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.026 -1.046 . . . . 0.0 111.322 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.61 -36.98 77.37 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.653 -0.654 . . . . 0.0 111.553 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -62.71 -43.72 98.08 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.87 0.868 . . . . 0.0 112.275 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -63.47 -46.26 87.0 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.4 1.0 . . . . 0.0 111.989 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.21 -39.64 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.829 0.852 . . . . 0.0 112.178 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.7 -43.97 90.18 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.865 1.211 . . . . 0.0 112.932 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -74.29 -39.27 63.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.52 0.728 . . . . 0.0 111.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.28 -41.23 72.0 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.336 1.454 . . . . 0.0 111.817 171.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.71 -46.81 80.74 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -21.46 66.75 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 29.2 mm -92.92 -18.48 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.856 1.662 . . . . 0.0 113.594 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -70.36 141.94 52.19 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.116 0.967 . . . . 0.0 111.907 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 C-N-CA 125.847 1.689 . . . . 0.0 112.756 177.514 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtm . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.816 -0.611 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.71 64.19 1.21 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.001 1.32 . . . . 0.0 113.132 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.96 ' HE1' HD21 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -149.15 49.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.792 1.637 . . . . 0.0 110.388 -169.156 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -139.17 -46.6 0.47 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.96 -36.33 83.61 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.587 1.085 . . . . 0.0 111.227 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.04 -41.38 74.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.363 1.465 . . . . 0.0 112.051 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.55 HD22 HD12 ' B' ' 17' ' ' LEU . 69.5 mt -73.26 -53.38 11.02 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.793 0.837 . . . . 0.0 111.823 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.83 -40.69 10.16 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.434 2.294 . . . . 0.0 112.407 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -70.29 -50.5 38.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -30.78 71.62 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.89 -40.37 80.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.174 1.389 . . . . 0.0 111.039 164.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -75.82 -23.63 55.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.22 -33.68 76.37 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 111.855 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.63 84.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.535 167.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mmt -61.9 -41.28 97.71 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.553 1.069 . . . . 0.0 113.708 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.6 -38.68 87.5 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.526 -0.734 . . . . 0.0 111.659 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' B' ' 7' ' ' LEU . 1.8 mt -60.74 -43.21 98.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 167.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.9 -32.53 74.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.69 1.596 . . . . 0.0 113.798 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -58.03 -44.84 87.59 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.651 1.114 . . . . 0.0 112.149 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.63 -37.16 50.68 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' ' HD2' ' B' ' 3' ' ' TYR . . . -56.13 -34.01 65.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.254 1.022 . . . . 0.0 112.496 172.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -62.42 -35.74 80.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 112.97 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.95 -38.37 53.44 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.836 -1.165 . . . . 0.0 112.652 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -60.97 -34.83 75.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.062 0.945 . . . . 0.0 112.221 171.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.92 -66.53 0.56 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.546 1.139 . . . . 0.0 112.324 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 41.51 27.63 0.06 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.161 2.184 . . . . 0.0 115.153 -167.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -128.58 132.24 24.24 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.353 1.861 . . . . 0.0 110.398 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.35 -19.78 32.88 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.118 2.545 . . . . 0.0 114.461 -167.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.92 -55.92 12.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.548 1.067 . . . . 0.0 110.546 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HE2' HG12 ' B' ' 51' ' ' ILE . 5.0 tmtt? -61.99 -38.63 89.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.355 1.462 . . . . 0.0 111.794 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -64.44 -4.58 4.08 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -118.27 13.7 13.73 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.383 1.473 . . . . 0.0 113.168 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -114.92 -50.26 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.577 1.551 . . . . 0.0 110.151 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -21.93 63.96 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.326 0.966 . . . . 0.0 112.038 174.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -66.16 -33.84 76.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.897 1.279 . . . . 0.0 112.287 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -75.6 -35.15 60.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.633 -0.667 . . . . 0.0 112.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.593 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.7 mt -61.26 -51.43 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.647 0.779 . . . . 0.0 109.5 163.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.98 -41.33 62.07 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.472 1.487 . . . . 0.0 112.942 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.86 -41.54 78.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.526 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 29.7 m-20 -61.57 -39.55 91.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 112.305 171.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.629 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 43.3 mm-40 -77.24 -33.78 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 111.179 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.43 -36.91 79.31 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.096 -1.002 . . . . 0.0 111.767 167.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -60.33 -43.0 96.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.995 0.918 . . . . 0.0 111.969 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 49.7 m170 -62.58 -43.68 98.21 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 111.631 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.98 -40.71 81.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.243 1.017 . . . . 0.0 112.225 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.31 -43.41 88.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.908 1.231 . . . . 0.0 112.738 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.831 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 24.5 m0 -72.0 -42.08 66.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.582 0.753 . . . . 0.0 111.656 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.18 -43.23 78.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.632 1.573 . . . . 0.0 112.203 173.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.73 -40.93 88.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.682 0.793 . . . . 0.0 112.186 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -61.49 -31.49 71.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.811 0.844 . . . . 0.0 112.751 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -83.56 -19.38 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.533 1.533 . . . . 0.0 113.65 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -67.97 140.21 56.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.454 1.101 . . . . 0.0 111.745 176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 C-N-CA 125.301 1.429 . . . . 0.0 113.011 -177.514 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -136.39 71.17 1.41 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.614 1.165 . . . . 0.0 112.207 -164.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.478 ' HD2' ' HB3' ' A' ' 21' ' ' ALA . 6.4 p90 -144.1 52.48 1.29 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.409 2.284 . . . . 0.0 110.351 -174.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.51 -74.96 0.28 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.585 2.354 . . . . 0.0 110.233 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -27.51 68.7 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.439 1.472 . . . . 0.0 113.619 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.88 -33.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.411 1.085 . . . . 0.0 113.507 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.518 ' CD2' HD21 ' A' ' 17' ' ' LEU . 10.0 mt -77.02 -50.02 14.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.527 0.731 . . . . 0.0 109.885 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -44.17 44.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 128.96 2.904 . . . . 0.0 113.386 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -71.66 -45.32 62.33 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.5 -33.39 74.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.595 1.158 . . . . 0.0 113.269 168.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.93 -37.87 69.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.05 0.94 . . . . 0.0 112.508 163.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -83.28 -20.85 33.67 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.93 -36.07 82.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.574 1.079 . . . . 0.0 111.932 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.92 86.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.716 0.689 . . . . 0.0 110.373 171.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -39.02 93.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.157 0.983 . . . . 0.0 113.038 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -64.36 -42.05 96.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.258 1.423 . . . . 0.0 112.429 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.96 HD21 ' HE1' ' A' ' 3' ' ' TYR . 4.7 mt -57.99 -47.17 83.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.865 0.866 . . . . 0.0 111.176 169.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -64.03 -36.42 83.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.985 1.714 . . . . 0.0 114.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -55.19 -46.62 75.87 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.363 1.065 . . . . 0.0 112.453 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -82.54 -38.03 24.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.61 0.764 . . . . 0.0 112.604 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.86 -40.21 66.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.57 -29.05 64.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.678 1.126 . . . . 0.0 114.017 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.28 -50.4 16.19 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.052 1.296 . . . . 0.0 111.7 169.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -65.63 -19.53 65.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.752 1.221 . . . . 0.0 114.016 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.76 28.21 8.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.713 2.405 . . . . 0.0 112.843 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -19.7 1.34 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -59.45 130.02 87.32 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.963 1.705 . . . . 0.0 112.04 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.29 -27.07 41.17 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.847 2.365 . . . . 0.0 114.328 -165.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.25 -46.91 65.98 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.71 0.804 . . . . 0.0 112.639 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -81.67 -44.57 16.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.552 1.941 . . . . 0.0 111.384 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -60.89 -18.95 59.34 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -106.5 7.8 31.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.955 1.302 . . . . 0.0 114.381 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.98 -47.99 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.115 1.366 . . . . 0.0 110.432 171.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -24.02 66.83 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.564 1.075 . . . . 0.0 112.651 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -65.44 -35.66 81.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.851 0.86 . . . . 0.0 112.454 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.61 -42.1 82.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.831 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 85.8 mt -63.18 -47.43 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.933 0.893 . . . . 0.0 109.201 170.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.64 -40.05 71.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.772 1.169 . . . . 0.0 113.477 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.92 -31.4 70.27 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.599 1.091 . . . . 0.0 113.575 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.422 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 13.2 m-20 -71.66 -38.53 70.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.686 1.195 . . . . 0.0 112.359 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.535 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 48.2 mm-40 -74.74 -37.84 62.4 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.866 -1.147 . . . . 0.0 111.129 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.12 -33.84 72.68 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.408 -0.807 . . . . 0.0 111.779 172.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.05 -43.36 87.69 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.74 0.816 . . . . 0.0 112.069 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.526 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 54.1 m170 -60.65 -41.46 94.99 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.131 0.972 . . . . 0.0 111.917 174.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.57 -42.2 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.293 1.037 . . . . 0.0 112.029 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.14 -41.1 96.11 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.285 -0.884 . . . . 0.0 112.942 174.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . 0.593 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 41.8 m0 -73.12 -34.95 66.44 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.9 0.88 . . . . 0.0 111.417 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -47.94 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.544 1.137 . . . . 0.0 112.845 175.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -18.9 64.13 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.438 1.095 . . . . 0.0 113.654 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -90.49 -30.9 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.094 1.358 . . . . 0.0 111.232 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.515 HG12 ' HE2' ' A' ' 30' ' ' LYS . 51.5 mt -70.11 -30.57 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.652 1.581 . . . . 0.0 111.584 168.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -62.24 139.59 58.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.312 1.045 . . . . 0.0 111.541 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 C-N-CA 125.923 1.725 . . . . 0.0 112.799 -175.44 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . 0.629 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -70.23 79.5 0.52 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.675 1.59 . . . . 0.0 112.815 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -150.61 51.62 0.88 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.583 1.153 . . . . 0.0 110.06 -173.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.28 -49.35 1.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.313 1.445 . . . . 0.0 112.446 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -61.1 -32.97 72.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.847 1.659 . . . . 0.0 111.959 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.62 -55.35 35.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.278 1.831 . . . . 0.0 111.925 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.52 -44.5 74.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.069 1.347 . . . . 0.0 112.893 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.09 -39.07 8.82 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.956 2.102 . . . . 0.0 112.498 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -64.59 -56.42 14.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.797 0.839 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.57 -33.49 76.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.873 0.869 . . . . 0.0 112.951 173.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.87 -41.56 70.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.64 1.176 . . . . 0.0 111.463 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -83.06 -19.25 37.21 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -68.84 -36.47 78.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.408 1.004 . . . . 0.0 111.769 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.31 70.16 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.053 0.842 . . . . 0.0 110.748 170.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mmm -57.18 -45.81 83.37 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -69.58 -33.32 72.56 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.014 -1.054 . . . . 0.0 112.169 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD13 HD11 ' B' ' 7' ' ' LEU . 8.0 mt -62.0 -46.82 87.55 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.895 167.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.11 -37.41 74.52 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.818 1.647 . . . . 0.0 113.317 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -60.42 -24.09 64.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.203 1.801 . . . . 0.0 114.605 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -112.4 -35.38 5.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.256 1.423 . . . . 0.0 111.889 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.86 25.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.512 1.525 . . . . 0.0 112.986 163.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -57.24 -40.91 78.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.837 0.855 . . . . 0.0 113.006 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -76.08 -36.56 58.9 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.058 -1.026 . . . . 0.0 112.636 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.93 -35.47 80.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.369 1.067 . . . . 0.0 113.256 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.58 -63.98 0.99 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.426 1.09 . . . . 0.0 112.053 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 45.26 22.5 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.998 2.119 . . . . 0.0 115.608 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -125.55 132.43 24.31 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.65 1.58 . . . . 0.0 109.891 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.19 -22.35 34.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.788 2.325 . . . . 0.0 114.347 -161.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.83 -51.31 62.78 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.827 0.74 . . . . 0.0 111.132 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -42.42 97.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.341 1.056 . . . . 0.0 111.055 172.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.93 1.79 2.43 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m -126.72 22.11 6.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.184 1.794 . . . . 0.0 111.977 166.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.64 -55.66 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.016 2.126 . . . . 0.0 109.24 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -21.65 64.89 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.293 0.951 . . . . 0.0 110.958 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -65.87 -33.34 75.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.394 1.077 . . . . 0.0 112.723 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.64 -40.44 63.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.228 1.011 . . . . 0.0 111.772 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.438 HG13 ' CD2' ' B' ' 44' ' ' HIS . 2.4 mt -59.22 -52.53 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.142 164.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.65 -38.57 69.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.327 1.876 . . . . 0.0 113.237 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.27 -31.16 72.25 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.411 1.005 . . . . 0.0 113.526 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.23 -23.26 35.46 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 113.551 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -104.12 -23.86 13.24 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.478 -1.389 . . . . 0.0 108.568 -160.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -42.36 76.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.55 1.54 . . . . 0.0 112.902 149.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -62.79 -40.94 98.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.426 1.09 . . . . 0.0 112.355 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' B' ' 37' ' ' ILE . 61.9 m170 -63.86 -40.15 95.87 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.69 -39.29 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.02 0.928 . . . . 0.0 111.635 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.98 -44.63 94.37 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.655 1.116 . . . . 0.0 112.261 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.729 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 40.5 m0 -69.88 -42.86 72.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.603 0.761 . . . . 0.0 111.782 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -53.86 -42.29 68.4 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.695 1.598 . . . . 0.0 111.89 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.38 -38.96 88.71 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 m -64.99 -30.4 71.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.986 0.812 . . . . 0.0 112.18 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.56 -16.94 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.596 1.558 . . . . 0.0 113.53 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -62.11 152.44 32.85 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.409 1.484 . . . . 0.0 112.829 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.914 1.721 . . . . 0.0 113.046 -176.719 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptt? . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.286 0.088 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -145.41 29.53 1.15 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.749 1.22 . . . . 0.0 114.049 -160.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -111.66 37.7 2.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.708 1.203 . . . . 0.0 114.21 -161.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.477 HD11 ' H ' ' B' ' 5' ' ' ARG 0.291 0.8 OUTLIER -123.97 -64.07 1.16 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.543 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.477 ' H ' HD11 ' B' ' 4' ' ' LEU . 26.6 mtt85 -57.32 -37.85 73.14 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.502 1.501 . . . . 0.0 112.179 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.415 ' HG2' HD11 ' A' ' 17' ' ' LEU . 17.7 tt0 -57.14 -43.83 82.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.736 0.814 . . . . 0.0 112.43 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.418 HD11 HD13 ' A' ' 17' ' ' LEU . 10.7 mp -70.42 -57.57 4.67 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.363 1.465 . . . . 0.0 112.165 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -44.88 62.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.92 2.088 . . . . 0.0 112.274 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -65.88 -44.35 85.63 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt -68.06 -38.86 82.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.211 0.914 . . . . 0.0 113.286 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.01 -36.8 41.34 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.598 1.159 . . . . 0.0 111.315 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -84.82 -26.93 27.13 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.56 -35.47 79.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.894 1.224 . . . . 0.0 111.504 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.95 87.41 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.552 0.615 . . . . 0.0 110.753 168.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -38.67 88.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.112 0.869 . . . . 0.0 112.923 176.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -71.47 -39.47 70.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.568 0.747 . . . . 0.0 112.145 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -58.01 -48.08 81.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.66 0.784 . . . . 0.0 111.646 167.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.1 -42.19 69.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.497 . . . . 0.0 114.843 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -63.21 -42.01 99.23 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.079 1.309 . . . . 0.0 112.85 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.35 -39.56 65.11 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.087 0.47 . . . . 0.0 112.018 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.69 63.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.987 166.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -58.52 -29.46 66.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -76.42 -49.19 17.32 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.599 1.545 . . . . 0.0 110.909 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -63.52 -36.7 84.66 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.352 1.061 . . . . 0.0 112.585 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.34 33.41 1.78 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.916 2.486 . . . . 0.0 112.429 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -20.77 0.97 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.695 1.998 . . . . 0.0 115.995 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.04 136.11 96.6 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 126.054 1.742 . . . . 0.0 112.053 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.09 -22.12 62.21 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.144 2.563 . . . . 0.0 114.67 -170.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.17 -45.99 90.94 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.038 0.835 . . . . 0.0 112.937 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -81.94 -43.13 18.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.981 1.312 . . . . 0.0 111.39 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.22 -13.15 16.24 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -111.23 6.22 20.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.642 1.177 . . . . 0.0 114.031 172.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.95 -48.74 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.782 1.633 . . . . 0.0 109.989 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -21.49 61.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.189 0.904 . . . . 0.0 112.192 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -66.81 -36.76 83.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.11 0.868 . . . . 0.0 111.937 176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -65.49 -41.74 92.94 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.81 1.244 . . . . 0.0 112.74 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.729 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 84.7 mt -62.13 -46.87 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.983 0.913 . . . . 0.0 109.731 167.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -39.74 49.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.526 1.057 . . . . 0.0 113.028 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.66 -39.73 66.9 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.47 -40.49 94.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 112.238 171.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -76.49 -34.63 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.41 -0.806 . . . . 0.0 111.054 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.87 -37.05 73.24 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.785 -0.572 . . . . 0.0 111.562 167.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -66.94 -39.79 87.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.598 0.759 . . . . 0.0 112.858 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.438 ' CD2' HG13 ' A' ' 37' ' ' ILE . 49.9 m170 -61.7 -52.73 63.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 119.468 1.031 . . . . 0.0 111.208 175.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mm -54.37 -41.52 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 126.258 1.823 . . . . 0.0 113.316 172.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.4 -46.27 76.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.929 1.241 . . . . 0.0 112.579 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -74.17 -43.83 55.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.326 0.65 . . . . 0.0 110.945 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.89 -40.41 56.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.074 1.35 . . . . 0.0 112.316 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -65.66 -47.21 76.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -15.65 62.77 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.46 -12.26 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.706 2.002 . . . . 0.0 113.661 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -74.61 167.04 22.54 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.652 1.181 . . . . 0.0 111.685 168.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.191 0 C-N-CA 125.118 1.342 . . . . 0.0 113.012 177.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.7 t0 58.26 72.24 0.53 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.285 1.834 . . . . 0.0 114.693 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -133.22 8.58 4.02 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.0 2.12 . . . . 0.0 112.61 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.05 -36.48 70.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.427 -1.42 . . . . 0.0 114.065 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.45 -30.53 68.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.302 1.041 . . . . 0.0 112.133 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -65.16 -43.03 93.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.398 0.679 . . . . 0.0 111.317 171.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.94 -51.68 68.65 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.873 0.469 . . . . 0.0 111.595 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.21 -43.22 31.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.287 2.235 . . . . 0.0 112.435 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -65.02 -51.33 62.18 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.31 -35.18 79.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 171.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.73 -35.07 68.13 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.179 1.392 . . . . 0.0 112.321 166.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -85.06 -17.61 36.89 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.98 -35.29 80.19 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.409 -1.432 . . . . 0.0 111.672 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -28.56 67.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.516 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpt -77.41 -39.53 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.489 1.116 . . . . 0.0 111.043 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -60.42 -44.95 95.25 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.249 1.02 . . . . 0.0 112.114 168.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.82 -47.7 83.89 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.035 0.534 . . . . 0.0 111.95 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.88 -30.92 70.44 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -24.7 63.13 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 171.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.94 -35.68 7.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.834 1.254 . . . . 0.0 112.565 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.89 73.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.246 0.619 . . . . 0.0 111.605 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 t -58.37 -34.82 71.11 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 114.082 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.04 -45.25 70.9 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.122 -0.986 . . . . 0.0 111.555 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.79 -39.08 90.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.23 0.612 . . . . 0.0 112.009 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 33.63 0.19 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.257 2.223 . . . . 0.0 113.559 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -18.3 47.06 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.343 -1.473 . . . . 0.0 113.774 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.45 126.35 90.41 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.228 1.411 . . . . 0.0 110.714 171.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.9 -17.8 46.73 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 114.356 -170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -65.33 -54.93 21.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.052 0.842 . . . . 0.0 110.483 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.36 90.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.018 1.327 . . . . 0.0 111.924 172.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.26 4.42 0.96 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -121.89 9.68 10.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.466 1.506 . . . . 0.0 112.965 165.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.5 t -110.79 -53.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.018 1.727 . . . . 0.0 110.267 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -21.52 66.01 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.488 1.04 . . . . 0.0 111.797 172.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.92 -33.21 74.25 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.264 -0.897 . . . . 0.0 112.499 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -71.43 -40.61 70.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.168 0.987 . . . . 0.0 111.989 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.08 -55.73 16.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 118.107 -0.949 . . . . 0.0 108.603 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.73 -31.65 68.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.442 1.473 . . . . 0.0 114.652 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.32 -39.25 74.87 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.788 1.176 . . . . 0.0 112.959 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.662 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 9.7 m-20 -63.91 -36.26 83.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.234 1.414 . . . . 0.0 112.249 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.619 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 4.6 tp10 -81.0 -34.56 32.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.71 1.204 . . . . 0.0 111.451 -167.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.4 -35.45 77.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.361 1.065 . . . . 0.0 111.745 163.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -61.96 -37.24 84.0 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.236 -0.915 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.555 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -62.56 -43.07 99.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.473 1.109 . . . . 0.0 112.127 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.06 -41.7 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.764 1.226 . . . . 0.0 112.136 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.65 -41.77 86.81 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.244 0.929 . . . . 0.0 112.327 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.3 m0 -73.59 -42.89 60.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.57 0.748 . . . . 0.0 111.683 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.0 -40.48 70.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.289 1.436 . . . . 0.0 112.046 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -70.65 -43.64 68.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -23.66 66.72 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.96 -15.73 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.029 1.731 . . . . 0.0 113.333 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -66.1 153.56 41.98 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.773 0.829 . . . . 0.0 112.452 172.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.288 0 C-N-CA 125.829 1.681 . . . . 0.0 114.348 177.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -160.78 55.39 0.31 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.351 1.061 . . . . 0.0 112.006 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -139.7 64.57 1.45 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 123.401 1.572 . . . . 0.0 112.746 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.37 -59.4 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.071 1.348 . . . . 0.0 112.3 175.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -65.83 -36.32 83.13 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.362 0.983 . . . . 0.0 112.246 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.72 -38.39 84.92 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.329 1.052 . . . . 0.0 112.681 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.47 -53.43 28.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 111.078 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -41.9 91.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 128.103 2.561 . . . . 0.0 113.183 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -63.48 -52.67 60.36 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.56 -36.81 79.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.923 0.889 . . . . 0.0 112.992 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.47 -32.95 70.72 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.568 1.147 . . . . 0.0 113.741 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.42 -16.69 24.3 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.969 1.713 . . . . 0.0 115.263 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.74 -39.48 70.03 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 111.158 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.88 84.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ttm -64.6 -44.21 91.32 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.09 -41.02 97.77 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.35 -0.844 . . . . 0.0 112.071 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.77 -46.61 77.88 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 168.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.25 -36.13 81.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.168 1.787 . . . . 0.0 113.916 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -61.54 -45.15 95.39 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.821 1.191 . . . . 0.0 112.903 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.33 -36.44 53.88 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.709 -0.619 . . . . 0.0 112.384 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.94 -38.75 65.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.797 0.839 . . . . 0.0 111.608 166.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -57.8 -33.06 68.16 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -67.82 -37.51 82.04 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.992 -1.068 . . . . 0.0 112.465 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -70.2 -46.79 63.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.523 1.129 . . . . 0.0 111.581 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 22.38 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.975 2.51 . . . . 0.0 114.73 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -27.37 1.08 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.349 2.659 . . . . 0.0 115.265 170.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -69.79 127.19 92.7 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.406 1.082 . . . . 0.0 109.81 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.46 -26.41 62.72 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.782 2.321 . . . . 0.0 114.093 -162.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.02 -50.72 71.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.496 1.118 . . . . 0.0 112.712 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.14 63.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.687 1.195 . . . . 0.0 111.957 172.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.27 -33.23 65.27 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.212 0.915 . . . . 0.0 113.18 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -89.84 2.84 54.48 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.26 -50.17 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.053 1.341 . . . . 0.0 110.219 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -70.69 -19.9 62.73 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.703 1.138 . . . . 0.0 112.607 175.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.93 -34.56 77.73 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.314 0.961 . . . . 0.0 112.788 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.95 -44.48 92.69 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.131 -0.981 . . . . 0.0 112.036 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.602 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 73.8 mt -63.38 -47.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.076 172.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.83 -42.47 65.18 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.097 1.317 . . . . 0.0 113.11 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.61 -37.07 65.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.823 1.192 . . . . 0.0 113.443 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 27.7 m-20 -63.26 -42.35 99.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.659 1.184 . . . . 0.0 112.199 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.635 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 32.0 mm-40 -73.36 -37.3 66.11 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.422 -0.799 . . . . 0.0 110.134 -177.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.27 -37.65 78.18 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.968 -1.082 . . . . 0.0 111.583 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -61.29 -43.05 99.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.1 0.96 . . . . 0.0 112.135 172.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.662 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.7 m170 -62.15 -43.74 98.16 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 119.281 0.946 . . . . 0.0 111.501 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.02 -42.24 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.533 1.133 . . . . 0.0 111.753 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -54.61 -45.29 73.66 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.077 0.853 . . . . 0.0 112.102 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -76.24 -38.45 56.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.619 0.768 . . . . 0.0 112.307 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.85 -43.68 77.31 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.358 1.463 . . . . 0.0 112.361 173.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.61 -27.01 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -83.16 -26.57 30.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 111.493 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -86.57 -22.14 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 125.474 1.51 . . . . 0.0 112.268 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.98 150.44 48.65 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.396 1.478 . . . . 0.0 111.985 170.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.183 0 CA-C-O 118.278 -1.29 . . . . 0.0 113.107 176.326 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . 0.635 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . 0.619 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 86.39 135.64 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 129.438 3.095 . . . . 0.0 114.263 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.663 ' CD2' ' HG2' ' B' ' 24' ' ' LYS . 50.3 p90 -72.24 26.5 0.05 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.266 2.227 . . . . 0.0 113.932 177.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -130.41 -37.92 1.38 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.414 1.886 . . . . 0.0 112.689 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -62.48 -41.58 98.89 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.107 1.363 . . . . 0.0 111.35 170.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.97 -38.9 90.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.602 1.161 . . . . 0.0 112.326 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 81.9 mt -65.85 -52.37 50.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.837 0.855 . . . . 0.0 111.608 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.21 -41.23 49.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.148 2.179 . . . . 0.0 112.967 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -63.17 -58.23 7.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.593 HD12 ' CD1' ' B' ' 17' ' ' LEU . 4.9 mp -59.75 -34.18 72.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.79 -37.68 74.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.118 1.367 . . . . 0.0 113.191 167.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -87.45 -11.7 48.28 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HB3' HD21 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -72.39 -34.66 68.07 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 120.72 -1.237 . . . . 0.0 110.755 174.113 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.23 91.97 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.235 167.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -60.92 -46.05 92.2 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.638 1.108 . . . . 0.0 113.441 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.93 -40.58 98.08 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.428 -0.795 . . . . 0.0 112.355 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' HD11 ' B' ' 10' ' ' LEU . 4.6 mt -61.25 -46.72 89.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.511 0.724 . . . . 0.0 112.304 171.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.01 -32.09 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.185 1.794 . . . . 0.0 113.308 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -61.91 -15.44 43.01 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.86 -40.82 3.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.15 1.38 . . . . 0.0 112.281 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -35.34 65.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.429 0.692 . . . . 0.0 112.121 168.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -61.08 -33.31 73.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.429 1.092 . . . . 0.0 113.466 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.97 -46.14 62.86 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.222 -0.924 . . . . 0.0 111.674 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -65.32 -40.65 94.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.797 0.839 . . . . 0.0 112.548 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.54 30.74 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.247 1.819 . . . . 0.0 113.891 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -13.96 16.43 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.2 130.74 94.88 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.918 1.287 . . . . 0.0 110.743 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.68 -23.21 69.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.232 2.621 . . . . 0.0 114.462 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.98 -27.26 68.73 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.852 1.261 . . . . 0.0 113.749 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.79 ' HE3' ' HH ' ' B' ' 3' ' ' TYR . 30.1 ttpt -117.95 -29.64 5.59 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.272 1.829 . . . . 0.0 113.464 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.06 -26.8 60.97 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.542 1.137 . . . . 0.0 113.619 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m -99.43 6.25 46.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.762 1.225 . . . . 0.0 114.044 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.56 -45.39 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.911 1.285 . . . . 0.0 110.35 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.65 -22.01 65.33 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.598 1.09 . . . . 0.0 112.069 172.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.51 -31.3 72.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.813 0.845 . . . . 0.0 112.773 172.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.83 -38.54 64.49 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 112.241 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.06 -50.56 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.403 163.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.77 -39.99 65.87 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.334 1.425 . . . . 0.0 113.329 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.67 -40.07 80.3 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.15 -40.04 94.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.615 1.166 . . . . 0.0 112.083 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.96 -35.22 64.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.32 -38.59 80.66 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 111.827 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -66.48 -37.96 86.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.275 0.63 . . . . 0.0 112.612 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.41 -45.04 94.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.309 -0.87 . . . . 0.0 111.578 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.37 -38.82 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.162 0.985 . . . . 0.0 112.175 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.59 -47.96 75.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.85 1.204 . . . . 0.0 112.026 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -72.57 -42.02 65.06 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.054 -0.404 . . . . 0.0 111.812 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.95 -42.18 72.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.2 1.4 . . . . 0.0 112.009 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.82 -48.45 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.59 0.756 . . . . 0.0 112.632 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -56.29 -31.35 63.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.843 1.257 . . . . 0.0 113.227 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.8 mm -86.18 -15.6 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.787 1.635 . . . . 0.0 113.524 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -98.44 76.86 2.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.805 1.642 . . . . 0.0 111.783 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.232 0 C-N-CA 125.012 1.291 . . . . 0.0 112.839 177.846 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 49.32 56.51 7.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.863 1.665 . . . . 0.0 114.364 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.79 ' HH ' ' HE3' ' A' ' 30' ' ' LYS . 19.6 p90 -51.12 -8.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.808 2.443 . . . . 0.0 116.787 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.16 -21.86 13.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.868 2.467 . . . . 0.0 115.51 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -35.99 41.85 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.445 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.0 tp10 -52.98 -40.03 63.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.043 2.137 . . . . 0.0 112.79 168.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.53 -62.08 1.9 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.012 0.925 . . . . 0.0 110.892 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.27 -43.3 70.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.39 2.276 . . . . 0.0 112.571 -173.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.18 -49.09 75.66 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 17' ' ' LEU . 17.5 mt -68.7 -35.27 76.95 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.611 0.641 . . . . 0.0 112.132 176.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.11 -38.86 68.7 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.652 1.581 . . . . 0.0 112.422 165.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -85.51 -29.57 24.13 Favored 'General case' 0 C--N 1.344 0.369 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -65.67 -34.91 79.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.614 -0.679 . . . . 0.0 111.822 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.451 0.569 . . . . 0.0 110.197 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 26.4 mmm -62.88 -41.16 99.31 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -64.3 -40.42 95.91 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.593 ' CD1' HD12 ' A' ' 10' ' ' LEU . 5.2 mt -58.46 -41.89 86.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.907 0.883 . . . . 0.0 112.228 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.45 -34.72 76.47 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 112.593 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -59.79 -46.91 87.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.657 1.183 . . . . 0.0 112.2 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.16 -40.93 51.34 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -30.55 61.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.445 0.698 . . . . 0.0 112.064 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 t -67.32 -28.29 67.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.368 0.985 . . . . 0.0 113.566 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -74.65 -43.28 56.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.288 -1.508 . . . . 0.0 111.644 165.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.663 ' HG2' ' CD2' ' A' ' 3' ' ' TYR . 13.6 ttmm -68.14 -19.61 64.83 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.52 36.4 3.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.338 2.655 . . . . 0.0 111.617 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -52.35 -22.72 4.87 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -52.16 128.97 40.21 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.632 2.373 . . . . 0.0 111.798 171.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -65.89 -22.39 56.12 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.655 2.237 . . . . 0.0 113.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.68 75.76 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 112.481 173.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.33 -36.87 9.85 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 113.122 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -66.05 3.84 0.78 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.94 1.696 . . . . 0.0 115.063 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.3 m -124.86 13.35 8.52 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.916 1.687 . . . . 0.0 113.498 167.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -115.5 -49.69 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.695 1.598 . . . . 0.0 109.969 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -21.5 61.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.557 1.071 . . . . 0.0 112.299 174.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -61.1 -32.84 72.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.802 1.241 . . . . 0.0 112.301 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.26 -40.0 62.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.597 -0.689 . . . . 0.0 112.113 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.1 -52.87 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.186 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.296 0.6 OUTLIER -61.55 -30.67 70.8 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.058 1.299 . . . . 0.0 112.898 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.2 -40.86 70.92 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.039 -1.038 . . . . 0.0 113.268 172.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -61.67 -38.75 88.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.822 1.249 . . . . 0.0 112.287 171.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -75.09 -37.84 61.41 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.142 -0.974 . . . . 0.0 111.351 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.44 -36.83 69.44 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.321 -0.862 . . . . 0.0 111.455 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.819 0.848 . . . . 0.0 112.265 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -62.72 -38.07 89.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.116 0.966 . . . . 0.0 112.888 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.98 -42.35 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.098 0.959 . . . . 0.0 111.027 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -61.33 -42.05 98.03 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.641 -0.662 . . . . 0.0 112.221 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -70.32 -36.97 74.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.874 0.869 . . . . 0.0 111.921 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -47.64 84.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.06 1.344 . . . . 0.0 111.732 173.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.81 -42.37 97.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.198 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -35.73 75.94 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.73 -14.34 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.953 1.701 . . . . 0.0 112.89 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -121.81 30.49 6.65 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.158 1.783 . . . . 0.0 112.718 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 C-N-CA 125.303 1.43 . . . . 0.0 113.276 176.772 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.362 -0.828 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.59 130.19 8.85 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.674 1.589 . . . . 0.0 114.398 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.695 ' CD2' ' HD3' ' B' ' 24' ' ' LYS . 41.0 p90 -137.49 -6.45 1.75 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -173.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.24 -30.33 69.35 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -167.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -31.14 68.75 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.651 1.18 . . . . 0.0 111.071 176.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.69 -40.64 95.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.536 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.749 HD22 HD12 ' B' ' 17' ' ' LEU . 49.6 mt -65.23 -50.08 67.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.859 0.864 . . . . 0.0 111.76 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.42 -40.84 12.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.217 2.607 . . . . 0.0 113.475 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.26 -53.92 25.62 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.01 -36.16 76.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.742 0.817 . . . . 0.0 112.574 170.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.51 -38.54 77.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 0.0 112.93 170.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -85.44 -23.31 27.93 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -62.48 -31.22 71.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.599 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.79 -46.88 62.05 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 119.067 0.849 . . . . 0.0 110.506 171.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.3 mmm -54.59 -43.39 72.08 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.638 1.108 . . . . 0.0 112.704 174.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.81 -38.06 76.47 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.709 -0.62 . . . . 0.0 111.937 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 3.6 mt -62.95 -38.99 93.28 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.387 0.675 . . . . 0.0 112.002 169.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -64.76 -35.68 81.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.802 1.641 . . . . 0.0 112.803 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -62.37 -42.58 99.53 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.864 0.865 . . . . 0.0 112.845 171.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.91 -43.2 36.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.966 0.906 . . . . 0.0 112.84 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.74 67.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.135 0.974 . . . . 0.0 111.648 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -63.82 -34.48 78.0 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.29 0.95 . . . . 0.0 112.834 173.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.15 -43.71 73.74 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.202 -0.937 . . . . 0.0 111.385 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -65.76 -18.98 65.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.371 1.468 . . . . 0.0 114.504 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.02 36.91 4.51 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.137 2.175 . . . . 0.0 111.959 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -50.95 -21.42 1.74 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.06 130.71 92.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.267 1.827 . . . . 0.0 111.352 173.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -63.19 -23.61 72.78 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.911 2.407 . . . . 0.0 114.027 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.54 -24.27 55.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.966 2.106 . . . . 0.0 113.965 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -36.62 3.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 113.23 170.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.93 -16.44 29.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -107.53 9.89 29.41 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.499 1.12 . . . . 0.0 113.917 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -115.76 -46.54 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.489 1.516 . . . . 0.0 110.451 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -18.91 62.39 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.242 0.928 . . . . 0.0 111.44 171.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.07 -36.71 83.93 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.411 -0.806 . . . . 0.0 112.318 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -72.09 -31.83 66.44 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.081 -1.012 . . . . 0.0 112.234 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.8 -56.82 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 117.388 -1.292 . . . . 0.0 109.272 163.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.326 1.0 OUTLIER -60.99 -24.79 66.4 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 121.469 1.94 . . . . 0.0 113.35 -175.028 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.71 -36.73 42.97 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.631 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -62.19 -40.9 97.6 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.382 1.473 . . . . 0.0 111.907 165.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -82.9 -33.09 26.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.892 -166.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.53 -31.17 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.561 1.144 . . . . 0.0 112.622 163.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -38.47 89.13 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.916 0.78 . . . . 0.0 111.947 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.743 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 46.8 m170 -61.17 -37.83 84.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.298 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.23 -37.72 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.87 0.868 . . . . 0.0 110.835 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.93 -42.86 94.86 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.658 1.117 . . . . 0.0 112.129 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 20.3 m0 -70.96 -45.04 64.82 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.366 0.666 . . . . 0.0 111.446 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.5 -40.88 68.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.193 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.97 -44.39 76.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.658 0.783 . . . . 0.0 112.833 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -20.41 66.24 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.7 mt -93.09 -18.4 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.251 1.82 . . . . 0.0 113.042 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -69.16 162.21 27.51 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.976 1.31 . . . . 0.0 112.028 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.173 0 C-N-CA 125.538 1.542 . . . . 0.0 112.865 -179.067 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttp . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -65.28 141.68 58.53 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.711 1.142 . . . . 0.0 111.476 166.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -147.29 -0.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.107 1.363 . . . . 0.0 113.925 169.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -94.46 -33.19 13.21 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -167.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -67.16 -28.99 68.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.913 0.885 . . . . 0.0 111.864 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.381 1.472 . . . . 0.0 112.494 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 96.1 mt -58.74 -56.05 27.22 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.825 1.25 . . . . 0.0 111.514 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -46.31 60.57 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.85 2.46 . . . . 0.0 112.506 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.62 -44.59 93.47 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -66.87 -38.33 86.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.89 0.768 . . . . 0.0 112.472 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -28.04 58.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.464 1.505 . . . . 0.0 113.123 167.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -95.64 -20.31 19.05 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.26 -34.46 77.48 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.837 -1.165 . . . . 0.0 112.227 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.2 98.69 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.643 0.656 . . . . 0.0 110.138 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -62.67 -42.09 99.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.865 0.866 . . . . 0.0 112.948 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.74 -40.24 91.93 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.709 -0.619 . . . . 0.0 112.385 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.749 HD12 HD22 ' A' ' 7' ' ' LEU . 1.2 mt -56.63 -44.87 81.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 168.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.43 -39.74 95.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.912 1.685 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -37.04 76.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.12 0.568 . . . . 0.0 111.843 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -83.3 -34.31 25.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.124 0.97 . . . . 0.0 113.248 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -56.88 -33.78 67.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.625 0.77 . . . . 0.0 112.428 170.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -58.65 -32.31 68.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.8 -37.12 35.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.355 1.062 . . . . 0.0 112.249 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.695 ' HD3' ' CD2' ' A' ' 3' ' ' TYR . 63.5 mttm -60.94 -37.63 83.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.368 0.667 . . . . 0.0 112.461 169.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.32 -66.09 0.59 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.743 1.217 . . . . 0.0 111.901 170.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 43.31 25.71 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.864 2.066 . . . . 0.0 114.934 -170.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -133.32 137.81 30.04 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.394 1.878 . . . . 0.0 109.901 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.01 -24.6 45.2 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.891 2.394 . . . . 0.0 114.065 -170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -67.46 -52.07 43.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.642 0.656 . . . . 0.0 110.67 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -67.35 -42.69 83.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.049 . . . . 0.0 112.284 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.37 -33.38 63.37 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.15 10.04 35.43 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.94 -44.47 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.36 1.464 . . . . 0.0 111.078 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.97 66.27 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.922 1.237 . . . . 0.0 111.743 169.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.67 -35.4 70.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.081 1.31 . . . . 0.0 113.309 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.87 -42.46 63.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.714 0.806 . . . . 0.0 112.399 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.756 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 67.7 mt -60.78 -44.28 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.233 1.013 . . . . 0.0 110.371 168.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.87 -39.86 90.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.52 1.055 . . . . 0.0 112.471 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.96 -37.92 79.1 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.312 0.96 . . . . 0.0 112.579 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.14 -39.98 95.18 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.685 1.194 . . . . 0.0 112.365 169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.743 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 12.5 mm-40 -71.33 -36.98 71.75 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.07 -41.24 87.49 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.078 -1.014 . . . . 0.0 111.834 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -59.96 -43.22 95.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.613 0.765 . . . . 0.0 111.623 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.631 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 55.6 m170 -63.4 -46.8 84.74 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.105 0.962 . . . . 0.0 112.208 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.28 -41.58 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 111.982 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.28 -44.5 92.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.23 0.923 . . . . 0.0 112.364 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -71.98 -36.38 69.78 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.621 0.768 . . . . 0.0 112.026 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -49.19 75.2 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.607 1.163 . . . . 0.0 111.558 170.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.66 -42.74 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -60.75 -34.23 74.12 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -77.44 -24.42 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.467 1.507 . . . . 0.0 112.878 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.98 62.71 2.17 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.39 1.876 . . . . 0.0 112.119 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.939 1.733 . . . . 0.0 112.918 177.493 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.759 ' OD2' ' HD2' ' B' ' 24' ' ' LYS . 4.9 m-20 -44.2 107.31 0.09 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.092 1.757 . . . . 0.0 114.372 -167.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 56.73 15.28 2.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.488 2.715 . . . . 0.0 117.465 173.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -53.88 -42.8 69.02 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -154.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.96 -35.89 80.98 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.09 0.956 . . . . 0.0 111.92 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.01 -36.58 81.97 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.158 1.783 . . . . 0.0 111.965 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.761 ' CD2' HD21 ' B' ' 17' ' ' LEU . 30.0 mt -73.33 -51.78 16.23 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.41 1.084 . . . . 0.0 111.489 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -41.5 67.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.622 2.369 . . . . 0.0 113.271 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.42 -49.73 68.1 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD21 HD22 ' B' ' 10' ' ' LEU . 45.8 mt -61.28 -39.57 90.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.629 0.772 . . . . 0.0 111.859 171.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.85 -36.18 67.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.223 1.409 . . . . 0.0 113.18 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.75 -22.78 22.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.45 -34.75 78.91 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.356 -0.84 . . . . 0.0 112.072 171.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.52 -39.99 80.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.889 0.768 . . . . 0.0 110.629 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmt -62.59 -39.7 94.56 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.455 1.025 . . . . 0.0 113.471 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -68.78 -38.74 80.24 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.479 -0.763 . . . . 0.0 111.922 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.53 -42.1 95.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.891 0.876 . . . . 0.0 112.434 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.548 1.539 . . . . 0.0 113.829 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtt85 -60.15 -40.32 89.45 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.915 1.234 . . . . 0.0 113.29 170.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -79.82 -42.62 23.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.742 0.817 . . . . 0.0 112.098 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.79 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.34 0.656 . . . . 0.0 112.272 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -64.96 -34.21 77.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 0.0 113.113 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.22 -40.54 82.04 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.302 -0.874 . . . . 0.0 111.637 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.69 -46.03 70.08 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.135 1.374 . . . . 0.0 112.403 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.08 29.67 0.17 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.312 2.245 . . . . 0.0 114.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -11.63 19.07 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.24 127.17 90.66 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.569 1.548 . . . . 0.0 110.41 169.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.6 -30.96 70.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.763 2.309 . . . . 0.0 113.873 -164.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.66 -47.44 76.67 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.331 1.052 . . . . 0.0 112.632 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -83.01 -36.14 25.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.696 1.599 . . . . 0.0 112.596 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -54.06 -27.67 33.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.578 1.151 . . . . 0.0 114.025 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -98.75 6.76 46.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 114.704 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.47 -46.52 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.337 1.455 . . . . 0.0 110.79 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -20.19 66.0 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.1 1.318 . . . . 0.0 112.259 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.98 -35.93 81.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.101 1.361 . . . . 0.0 113.332 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -73.41 -35.1 65.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.42 -0.8 . . . . 0.0 112.132 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.81 -50.25 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.413 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.88 -40.5 60.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.335 1.425 . . . . 0.0 113.224 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.78 -38.48 67.26 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.45 -41.01 98.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.565 1.146 . . . . 0.0 112.044 171.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -72.78 -35.03 67.31 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.719 -0.613 . . . . 0.0 110.31 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.75 -40.09 78.89 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.191 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -64.9 -40.39 95.01 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.687 -0.633 . . . . 0.0 112.231 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.657 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 44.7 m170 -61.99 -43.54 98.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.179 0.9 . . . . 0.0 111.59 172.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 124.498 1.119 . . . . 0.0 111.522 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.76 -48.69 77.27 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.544 1.065 . . . . 0.0 111.874 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.94 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 28.7 m0 -70.45 -40.03 73.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.337 0.655 . . . . 0.0 111.093 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -50.22 69.25 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.216 1.407 . . . . 0.0 112.014 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.54 -37.5 87.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.185 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -64.73 -30.78 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.512 HD12 ' HE3' ' B' ' 30' ' ' LYS . 51.8 mt -77.65 -24.75 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.069 1.747 . . . . 0.0 112.626 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -65.14 164.3 13.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.326 1.051 . . . . 0.0 112.466 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.394 0 C-N-CA 125.776 1.655 . . . . 0.0 112.745 -178.542 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 mmt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -153.18 55.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.574 1.149 . . . . 0.0 111.429 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -137.11 21.18 3.0 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -165.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.46 -49.49 3.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.724 -1.235 . . . . 0.0 112.257 -172.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -61.15 -33.04 72.77 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.507 1.049 . . . . 0.0 112.733 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.13 -52.0 62.48 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.807 1.243 . . . . 0.0 111.542 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.79 -55.4 23.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.687 1.595 . . . . 0.0 112.619 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -41.9 51.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.785 2.034 . . . . 0.0 112.229 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -63.08 -52.13 63.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.562 HD22 HD21 ' A' ' 10' ' ' LEU . 16.2 mt -65.05 -35.17 80.31 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.272 0.942 . . . . 0.0 112.617 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.22 -42.13 72.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.541 1.536 . . . . 0.0 112.073 166.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -84.71 -23.62 29.26 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.63 -35.39 78.83 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.292 -0.88 . . . . 0.0 111.627 172.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.43 85.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.589 0.631 . . . . 0.0 110.185 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp -59.93 -41.36 91.64 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.712 0.805 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -66.33 -41.69 89.25 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.62 0.768 . . . . 0.0 111.24 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.761 HD21 ' CD2' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.65 -47.66 83.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.863 0.465 . . . . 0.0 112.136 168.751 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.39 -40.54 94.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.907 1.683 . . . . 0.0 113.246 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -64.6 -44.31 90.99 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.141 0.882 . . . . 0.0 112.563 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -76.19 -38.1 56.98 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.123 0.569 . . . . 0.0 111.834 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.13 -42.33 72.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.56 0.744 . . . . 0.0 111.362 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -64.26 -26.25 68.41 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.98 -46.46 57.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.836 -1.165 . . . . 0.0 111.898 173.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.759 ' HD2' ' OD2' ' A' ' 2' ' ' ASP . 5.9 tmtm? -72.56 -46.67 53.29 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.259 1.024 . . . . 0.0 112.214 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 36.82 0.3 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.029 2.131 . . . . 0.0 112.608 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -12.2 8.73 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -173.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.4 133.7 95.75 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.424 1.49 . . . . 0.0 110.817 171.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -68.03 -17.29 45.99 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.389 2.726 . . . . 0.0 114.668 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.72 -20.59 66.0 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.864 0.84 . . . . 0.0 112.284 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.512 ' HE3' HD12 ' A' ' 51' ' ' ILE . 9.1 tptm -116.57 -45.97 2.78 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.948 2.099 . . . . 0.0 112.793 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -51.73 -39.77 59.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -87.96 7.02 33.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.73 -49.63 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.261 1.424 . . . . 0.0 110.285 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -70.43 -18.14 63.01 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.416 1.007 . . . . 0.0 112.449 174.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.54 -35.65 80.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.209 -0.932 . . . . 0.0 113.206 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.31 -40.92 94.37 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.051 -1.031 . . . . 0.0 112.143 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.94 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 65.3 mt -62.85 -47.92 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.5 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.02 -44.36 60.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.395 1.452 . . . . 0.0 112.923 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.46 -38.12 71.29 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -65.9 -37.55 86.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.681 1.192 . . . . 0.0 112.586 174.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.657 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 54.6 mm-40 -74.93 -35.95 62.17 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.264 -0.897 . . . . 0.0 110.709 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.14 -37.64 75.03 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.378 -0.826 . . . . 0.0 111.723 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -62.5 -40.64 97.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.936 0.894 . . . . 0.0 112.381 173.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -65.47 -46.65 78.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 119.359 0.981 . . . . 0.0 111.919 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -38.97 63.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.617 1.167 . . . . 0.0 112.098 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -59.19 -43.97 92.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.88 1.218 . . . . 0.0 112.946 172.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -73.15 -39.89 65.32 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.754 0.822 . . . . 0.0 111.692 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.02 -38.79 71.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.67 1.588 . . . . 0.0 112.057 171.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.54 -44.08 75.29 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.12 0.568 . . . . 0.0 112.103 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -27.37 68.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 31.1 mm -89.39 -16.05 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.972 1.709 . . . . 0.0 113.319 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -67.2 148.68 51.47 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.94 0.896 . . . . 0.0 112.538 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.519 1.533 . . . . 0.0 114.27 -179.807 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 ttp . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -57.61 147.91 25.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.606 1.162 . . . . 0.0 113.453 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -151.54 30.61 0.59 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -169.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -125.09 -52.46 1.65 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -29.45 70.8 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.173 0.897 . . . . 0.0 112.925 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.7 -54.61 45.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.76 1.224 . . . . 0.0 111.486 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' B' ' 18' ' ' TYR . 10.3 mp -63.38 -45.47 90.98 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 125.057 1.343 . . . . 0.0 112.364 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -42.14 67.96 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.122 1.769 . . . . 0.0 112.19 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -64.01 -52.23 60.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.6 -31.46 72.51 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.708 0.685 . . . . 0.0 112.831 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.74 -38.29 75.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.896 1.679 . . . . 0.0 111.744 166.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.99 -23.27 23.87 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -66.84 -34.5 77.94 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.108 -0.995 . . . . 0.0 112.044 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.63 -40.94 84.6 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 118.713 0.688 . . . . 0.0 110.566 170.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.49 -42.31 99.4 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.247 0.93 . . . . 0.0 113.001 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.35 -44.97 92.61 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.454 1.024 . . . . 0.0 111.512 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.14 -48.77 79.22 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.929 . . . . 0.0 111.991 172.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.62 -42.03 82.48 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.01 -26.14 67.4 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.272 0.942 . . . . 0.0 113.131 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.12 -40.57 10.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.28 1.032 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -31.69 62.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.468 0.707 . . . . 0.0 111.925 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -55.29 -34.32 64.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 113.458 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -38.57 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.07 -1.019 . . . . 0.0 112.746 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -84.73 -33.56 23.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.987 1.315 . . . . 0.0 113.546 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.38 6.95 10.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.421 1.888 . . . . 0.0 114.62 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -55.38 -13.84 1.61 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -171.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.13 135.98 93.9 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.953 1.701 . . . . 0.0 110.407 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.68 -28.31 86.31 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.111 2.541 . . . . 0.0 114.208 -166.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.59 -29.72 66.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.133 1.773 . . . . 0.0 114.567 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.88 -40.34 5.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.231 1.812 . . . . 0.0 112.093 173.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -57.13 -26.47 60.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.924 1.69 . . . . 0.0 114.522 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -99.24 2.46 45.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.68 -46.81 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.564 1.546 . . . . 0.0 110.382 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -24.61 66.82 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.634 1.106 . . . . 0.0 111.846 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.6 -33.46 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.514 1.125 . . . . 0.0 113.043 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -75.84 -41.86 51.24 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.519 -0.738 . . . . 0.0 112.213 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mt -60.63 -46.22 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.183 166.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 mt -54.9 -43.02 72.89 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.018 1.281 . . . . 0.0 112.066 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.82 -38.18 73.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -62.91 -41.01 99.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.259 1.023 . . . . 0.0 112.143 171.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.63 -36.1 70.62 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 110.405 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.69 -40.73 88.87 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.097 -1.002 . . . . 0.0 112.134 169.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.57 -40.36 96.6 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.708 -0.62 . . . . 0.0 112.019 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -62.01 -44.48 96.63 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.834 0.854 . . . . 0.0 111.498 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.27 -39.2 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.243 1.017 . . . . 0.0 112.142 175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -60.68 -42.53 97.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.98 1.264 . . . . 0.0 112.708 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.87 -40.75 63.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 111.632 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -55.82 -38.77 70.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.756 1.622 . . . . 0.0 112.287 172.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.5 -43.32 90.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.427 0.691 . . . . 0.0 112.435 172.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -26.1 67.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.9 mt -80.39 -27.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.959 1.704 . . . . 0.0 113.092 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -67.82 158.06 33.38 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.943 1.297 . . . . 0.0 112.563 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.378 1.466 . . . . 0.0 112.862 -179.62 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -134.7 157.43 46.7 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.091 1.356 . . . . 0.0 111.437 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -146.25 24.22 1.29 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.524 1.13 . . . . 0.0 113.678 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -112.65 -48.24 3.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -62.63 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.993 1.27 . . . . 0.0 113.28 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.65 -48.78 79.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.578 1.151 . . . . 0.0 111.175 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.3 10.27 0.63 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.707 2.803 . . . . 0.0 114.884 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.36 -46.02 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.445 1.498 . . . . 0.0 110.479 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -48.12 72.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.96 -37.75 88.56 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.698 0.799 . . . . 0.0 111.732 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.06 -34.68 68.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.284 1.434 . . . . 0.0 112.81 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -87.15 -32.75 19.69 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -61.76 -36.57 81.43 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.881 1.272 . . . . 0.0 111.609 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.91 81.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.41 0.684 . . . . 0.0 110.2 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -40.37 89.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 0.0 112.096 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.4 -44.77 90.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.29 1.036 . . . . 0.0 111.383 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.19 -37.68 88.19 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.46 ' CE1' HD22 ' A' ' 7' ' ' LEU . 3.7 m-85 -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.736 1.614 . . . . 0.0 113.156 173.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -63.89 -41.59 97.67 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.209 0.913 . . . . 0.0 112.655 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.03 -38.32 44.91 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 0.0 112.169 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.43 69.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.639 0.775 . . . . 0.0 112.126 171.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -61.5 -32.88 72.92 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.381 0.991 . . . . 0.0 113.149 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.38 -40.4 73.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.088 -1.008 . . . . 0.0 112.182 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.4 -46.49 83.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.457 0.703 . . . . 0.0 111.997 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.73 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.645 2.378 . . . . 0.0 114.051 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -55.51 -21.95 19.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -61.69 119.46 47.68 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.619 1.568 . . . . 0.0 111.06 168.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -63.12 -18.97 67.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.245 2.63 . . . . 0.0 114.227 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.55 -33.15 69.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.057 0.943 . . . . 0.0 113.178 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.02 -38.12 9.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.844 2.058 . . . . 0.0 112.566 170.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.57 -2.65 2.5 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -118.01 9.52 12.79 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.11 -48.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.615 1.566 . . . . 0.0 110.448 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 -21.32 63.15 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.72 1.146 . . . . 0.0 112.038 171.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -65.86 -34.97 79.37 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.268 -0.895 . . . . 0.0 112.17 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -68.21 -37.44 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.49 0.716 . . . . 0.0 112.316 176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.62 -47.84 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.651 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.307 0.1 OUTLIER -57.97 -40.78 81.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.833 1.197 . . . . 0.0 111.937 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.96 -37.9 82.12 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.764 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -63.77 -38.0 89.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.067 0.947 . . . . 0.0 112.323 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -72.95 -39.87 65.83 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.355 -0.841 . . . . 0.0 110.981 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.63 -35.17 68.03 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.585 -0.697 . . . . 0.0 112.079 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -66.42 -41.35 89.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.916 0.886 . . . . 0.0 112.904 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -62.72 -41.36 99.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.476 1.11 . . . . 0.0 112.619 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.42 -39.19 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.697 1.199 . . . . 0.0 112.006 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.54 -36.57 83.0 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.746 0.818 . . . . 0.0 112.983 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -77.44 -37.29 51.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.421 1.088 . . . . 0.0 112.045 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -47.9 65.75 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 111.941 170.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.02 -27.42 63.53 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 173.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 98.9 m -83.58 -27.89 28.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.788 1.235 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.24 -27.82 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.371 1.468 . . . . 0.0 112.885 168.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -69.59 162.61 27.26 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.974 1.31 . . . . 0.0 112.367 171.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 125.39 1.472 . . . . 0.0 112.919 179.338 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.02 -23.05 64.04 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 42.28 53.49 4.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.577 1.951 . . . . 0.0 114.917 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.62 -47.15 0.33 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -67.74 -41.53 83.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 121.142 1.792 . . . . 0.0 111.372 168.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -43.52 94.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.895 1.278 . . . . 0.0 112.379 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.38 -4.13 34.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.401 1.881 . . . . 0.0 114.559 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.77 -42.0 3.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.358 1.863 . . . . 0.0 109.801 -173.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -67.05 -47.95 69.79 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 17' ' ' LEU . 28.8 mt -67.13 -34.04 76.73 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.767 0.712 . . . . 0.0 112.168 173.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -42.9 82.79 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.259 1.424 . . . . 0.0 112.422 166.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -81.42 -24.24 37.03 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.65 -32.04 73.1 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.238 -0.914 . . . . 0.0 111.932 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.88 66.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.093 0.861 . . . . 0.0 110.655 168.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mtp -55.42 -42.51 74.24 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.552 1.069 . . . . 0.0 113.626 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.64 -30.29 52.13 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' CD1' HD11 ' B' ' 10' ' ' LEU . 5.8 mt -59.41 -47.57 84.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.242 -0.409 . . . . 0.0 110.541 163.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -58.07 -37.8 75.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.583 1.553 . . . . 0.0 114.099 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -27.43 68.36 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.933 1.693 . . . . 0.0 113.875 176.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -105.85 -33.22 8.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.421 1.488 . . . . 0.0 112.885 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -33.35 35.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.324 1.05 . . . . 0.0 111.533 165.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -58.22 -28.14 64.58 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.71 -40.56 66.06 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.871 1.214 . . . . 0.0 111.97 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.85 -32.4 69.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.794 1.238 . . . . 0.0 112.672 172.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.09 28.4 1.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.45 2.3 . . . . 0.0 113.138 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -52.39 -24.84 8.42 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.25 123.1 81.41 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.121 1.368 . . . . 0.0 109.648 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.25 -21.39 72.5 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 122.724 2.283 . . . . 0.0 113.806 -171.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.55 -32.99 67.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.401 1.081 . . . . 0.0 113.184 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -39.86 7.77 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.931 2.093 . . . . 0.0 112.263 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -56.94 -28.61 62.32 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -97.19 8.21 45.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.69 -46.91 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.088 1.355 . . . . 0.0 110.689 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -15.85 63.59 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.726 1.148 . . . . 0.0 112.478 173.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -64.07 -33.48 75.85 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.277 -0.89 . . . . 0.0 113.37 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.76 -39.99 80.0 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.55 -0.719 . . . . 0.0 111.991 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' B' ' 44' ' ' HIS . 67.5 mt -62.75 -48.65 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.579 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.13 -45.31 64.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.653 1.115 . . . . 0.0 112.606 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.97 -40.28 72.03 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.48 -40.0 89.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.636 1.175 . . . . 0.0 112.183 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.92 -39.78 66.0 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.423 -0.798 . . . . 0.0 111.02 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.96 -34.27 71.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.369 -0.832 . . . . 0.0 111.993 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -61.84 -47.45 85.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.198 0.999 . . . . 0.0 111.991 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' CD2' HG12 ' B' ' 37' ' ' ILE . 50.8 m170 -62.91 -40.9 98.99 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.454 1.102 . . . . 0.0 112.187 177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.6 -40.37 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 112.01 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.61 -41.8 99.2 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.135 -0.978 . . . . 0.0 112.761 172.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.69 -37.26 76.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.795 0.838 . . . . 0.0 111.841 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -49.27 74.44 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.371 1.468 . . . . 0.0 111.698 170.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -40.58 83.37 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.424 0.69 . . . . 0.0 112.572 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -62.23 -19.96 63.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.055 0.942 . . . . 0.0 113.498 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mm -100.25 -10.68 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.036 1.735 . . . . 0.0 113.277 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -67.95 151.7 46.7 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 121.238 -0.914 . . . . 0.0 111.252 168.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.025 1.298 . . . . 0.0 113.273 -176.331 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -175.95 -47.08 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.343 1.857 . . . . 0.0 111.318 164.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -154.32 52.16 0.66 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.775 1.23 . . . . 0.0 112.843 -172.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.463 ' CD2' ' H ' ' B' ' 53' ' ' GLY . 0.1 OUTLIER -133.72 -54.37 0.88 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.562 1.545 . . . . 0.0 109.775 -176.041 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -56.5 -43.5 79.77 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.36 1.064 . . . . 0.0 112.041 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.99 -39.41 85.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.837 1.255 . . . . 0.0 112.17 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.06 -57.34 6.28 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.314 1.046 . . . . 0.0 110.431 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -41.98 72.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.881 2.473 . . . . 0.0 112.597 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.55 -45.7 78.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 17' ' ' LEU . 19.9 mt -69.76 -35.15 74.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.86 0.755 . . . . 0.0 112.335 174.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.29 -40.53 67.96 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.834 1.253 . . . . 0.0 112.537 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -86.83 -18.25 31.44 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.06 -36.42 77.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.572 1.078 . . . . 0.0 111.987 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.28 91.45 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 167.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.64 -40.79 96.12 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -61.07 -44.74 96.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 111.534 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.402 HD13 HD11 ' A' ' 10' ' ' LEU . 3.6 mt -55.76 -51.98 65.51 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.594 0.757 . . . . 0.0 111.353 171.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -59.17 -38.35 79.56 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.695 1.998 . . . . 0.0 113.619 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -68.13 -38.94 82.77 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.605 1.093 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -83.55 -38.99 20.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.625 0.77 . . . . 0.0 112.833 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.1 -39.41 63.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.556 0.742 . . . . 0.0 111.352 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -58.15 -35.57 71.73 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.68 -46.61 65.69 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.833 -1.167 . . . . 0.0 111.756 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -67.52 -39.86 85.08 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.714 -0.616 . . . . 0.0 112.11 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.37 42.95 1.1 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.531 1.932 . . . . 0.0 112.41 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -18.36 20.98 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 130.44 93.65 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 126.449 1.9 . . . . 0.0 111.64 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.48 -25.12 41.7 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.837 2.358 . . . . 0.0 114.601 -167.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.37 -47.31 72.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.442 1.097 . . . . 0.0 112.774 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -80.68 -39.58 26.95 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.358 1.463 . . . . 0.0 112.034 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -60.7 -16.85 43.86 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.6 m -106.65 10.44 31.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.313 1.445 . . . . 0.0 114.102 171.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.92 -36.14 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.787 1.635 . . . . 0.0 111.556 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 -19.74 34.96 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.552 1.069 . . . . 0.0 112.868 169.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.25 -32.25 58.76 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.962 -1.086 . . . . 0.0 113.186 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -67.28 -28.69 68.23 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.263 -0.898 . . . . 0.0 113.365 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 44' ' ' HIS . 71.2 mt -67.35 -56.56 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 116.918 -1.515 . . . . 0.0 108.207 161.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 37.2 mt -48.2 -38.71 18.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.684 2.038 . . . . 0.0 114.648 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.73 -30.65 65.86 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.17 -35.2 61.6 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.876 1.67 . . . . 0.0 111.9 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -84.16 -36.47 22.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.798 1.639 . . . . 0.0 109.922 -165.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.67 -32.64 72.84 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.286 1.435 . . . . 0.0 112.194 165.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.49 89.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.986 0.914 . . . . 0.0 112.249 176.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.462 ' CD2' HG12 ' A' ' 37' ' ' ILE . 47.8 m170 -64.69 -42.02 95.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 112.301 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.21 -38.69 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.836 0.854 . . . . 0.0 110.863 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.31 -46.15 79.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.964 0.802 . . . . 0.0 112.543 170.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -73.15 -39.72 65.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.5 0.72 . . . . 0.0 112.031 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.07 -43.05 77.57 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.876 1.671 . . . . 0.0 112.375 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.58 -30.69 70.36 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -74.09 -28.53 61.41 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.098 0.959 . . . . 0.0 111.946 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -92.87 -12.15 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 126.216 1.807 . . . . 0.0 113.09 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -48.29 124.6 8.12 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.177 1.791 . . . . 0.0 113.694 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.463 ' H ' ' CD2' ' B' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 126.152 1.834 . . . . 0.0 112.805 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 ptp . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -79.22 177.9 8.48 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.583 1.182 . . . . 0.0 113.661 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -98.78 36.8 1.6 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.144 2.578 . . . . 0.0 112.813 -163.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -133.29 -56.05 0.91 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -62.36 -32.08 72.82 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.687 1.585 . . . . 0.0 111.974 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -40.95 77.55 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.708 1.203 . . . . 0.0 112.588 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' B' ' 18' ' ' TYR . 27.6 mt -73.47 -48.14 35.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.744 0.818 . . . . 0.0 111.063 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -36.78 17.4 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.232 2.613 . . . . 0.0 112.721 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -68.09 -56.37 9.11 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.32 -34.95 74.54 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.144 0.883 . . . . 0.0 112.965 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.8 -44.66 82.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.251 1.421 . . . . 0.0 111.784 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -79.32 -24.71 42.63 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -65.16 -37.74 88.36 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.639 -0.663 . . . . 0.0 111.712 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.66 84.63 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.446 0.567 . . . . 0.0 109.677 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -58.04 -41.63 83.66 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.237 0.926 . . . . 0.0 113.078 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -74.68 -32.91 62.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.642 1.11 . . . . 0.0 113.237 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 5.9 mt -57.66 -41.77 82.18 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.24 -32.68 74.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.998 1.719 . . . . 0.0 114.124 175.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.69 -47.67 82.61 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.943 1.247 . . . . 0.0 112.543 169.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.64 -39.12 62.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.017 0.927 . . . . 0.0 112.111 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.07 71.56 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.401 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -61.74 -33.32 73.85 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.747 1.158 . . . . 0.0 112.518 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.35 -43.51 70.05 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.193 -0.942 . . . . 0.0 112.347 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -45.55 94.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.945 0.898 . . . . 0.0 112.135 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.33 24.32 1.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.216 2.207 . . . . 0.0 114.082 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -21.74 1.91 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -58.55 131.14 85.29 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 124.699 1.2 . . . . 0.0 111.409 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -64.07 -21.96 67.94 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.13 2.553 . . . . 0.0 114.343 -171.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.98 -31.01 70.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.259 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -111.96 -33.27 6.33 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.084 1.754 . . . . 0.0 113.462 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -24.31 43.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.733 1.213 . . . . 0.0 113.684 168.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -101.87 12.99 36.08 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.949 1.7 . . . . 0.0 113.801 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.53 -46.11 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.118 1.367 . . . . 0.0 110.762 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -16.11 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.75 1.159 . . . . 0.0 112.227 170.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -40.29 83.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.852 1.261 . . . . 0.0 113.181 176.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -71.24 -34.35 70.69 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.8 mt -64.64 -49.06 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.18 0.592 . . . . 0.0 109.558 168.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.88 -45.25 64.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.298 0.953 . . . . 0.0 112.591 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.02 -39.55 79.19 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 35.9 m-20 -62.09 -39.31 92.03 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.125 0.97 . . . . 0.0 112.361 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE2' ' CE1' ' B' ' 44' ' ' HIS . 54.5 mm-40 -73.4 -38.44 65.62 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.254 -0.904 . . . . 0.0 111.091 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.01 -35.67 69.52 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.517 -0.74 . . . . 0.0 111.944 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -66.86 -42.86 84.98 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.539 0.735 . . . . 0.0 112.612 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -60.48 -42.52 96.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.154 0.982 . . . . 0.0 112.266 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.08 -37.48 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.696 1.199 . . . . 0.0 112.441 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.07 -40.56 90.96 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.027 -1.045 . . . . 0.0 112.779 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -72.22 -37.19 69.26 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.05 0.94 . . . . 0.0 111.564 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -48.75 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.791 1.637 . . . . 0.0 112.063 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.43 -39.06 85.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.733 0.778 . . . . 0.0 112.935 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -60.94 -30.55 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.889 1.276 . . . . 0.0 112.923 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -80.25 -20.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.679 1.992 . . . . 0.0 112.936 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.44 165.2 23.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.845 1.658 . . . . 0.0 112.515 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.286 1.422 . . . . 0.0 112.814 -179.447 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -151.01 130.85 13.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.296 1.438 . . . . 0.0 110.116 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -155.99 34.51 0.34 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.594 1.158 . . . . 0.0 112.92 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.51 -21.31 1.03 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -169.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -83.64 -35.3 24.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -49.9 -41.53 46.11 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.868 2.067 . . . . 0.0 112.86 165.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.661 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 67.2 mt -81.42 0.96 35.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.553 1.541 . . . . 0.0 114.907 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.5 -44.23 2.47 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.064 1.345 . . . . 0.0 110.694 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.83 -51.83 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.62 -34.48 77.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.712 0.687 . . . . 0.0 112.472 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -40.23 82.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.085 1.354 . . . . 0.0 112.456 166.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.21 -27.03 35.48 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 120.545 -1.347 . . . . 0.0 114.219 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -65.1 -36.29 83.84 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.77 0.714 . . . . 0.0 111.755 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.98 84.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.573 0.624 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtp -59.7 -40.37 87.68 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.826 0.739 . . . . 0.0 112.788 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -38.28 83.34 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.315 0.646 . . . . 0.0 111.576 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.57 -42.45 96.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.493 0.717 . . . . 0.0 112.125 167.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.437 ' CE1' HD12 ' A' ' 7' ' ' LEU . 3.6 m-85 -62.34 -34.0 75.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 113.815 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -57.77 -45.25 86.23 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.179 0.9 . . . . 0.0 112.541 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.03 -36.8 27.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.944 0.898 . . . . 0.0 112.56 -175.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.07 60.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.86 0.864 . . . . 0.0 111.964 168.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -60.42 -25.06 65.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 171.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.85 -36.37 62.34 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.515 1.507 . . . . 0.0 113.039 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.11 -37.75 75.43 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.269 0.628 . . . . 0.0 112.321 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.66 28.02 1.4 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.818 2.047 . . . . 0.0 113.692 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -51.01 -28.85 10.96 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.122 1.769 . . . . 0.0 114.702 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.41 132.29 87.79 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.689 1.596 . . . . 0.0 111.188 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.44 -21.15 71.08 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.658 2.905 . . . . 0.0 114.747 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.51 -28.58 68.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.043 1.337 . . . . 0.0 113.171 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -108.09 -35.48 6.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.831 1.652 . . . . 0.0 113.292 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -53.87 -37.08 63.33 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.842 1.201 . . . . 0.0 113.065 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -91.4 8.64 35.26 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.94 -46.72 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.039 1.336 . . . . 0.0 110.454 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.263 0.5 OUTLIER -68.23 -26.99 65.97 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.73 1.15 . . . . 0.0 111.382 172.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -56.29 -35.11 67.13 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.229 1.377 . . . . 0.0 112.476 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.26 -38.04 84.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.597 0.635 . . . . 0.0 112.097 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.51 -50.61 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 117.394 -1.288 . . . . 0.0 109.553 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -53.34 -40.19 64.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 121.377 1.899 . . . . 0.0 113.026 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.41 -39.89 74.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.905 0.775 . . . . 0.0 112.906 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 37.8 m-20 -63.12 -41.15 99.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.877 1.271 . . . . 0.0 112.217 169.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -71.61 -37.48 70.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.369 -0.832 . . . . 0.0 110.349 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.53 -36.36 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.147 -0.97 . . . . 0.0 112.088 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -64.73 -39.82 94.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.63 -0.669 . . . . 0.0 112.247 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.512 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 51.9 m170 -62.29 -48.16 81.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.309 0.959 . . . . 0.0 111.12 173.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.95 -40.51 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.656 1.182 . . . . 0.0 111.554 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -55.82 -48.3 75.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.881 1.219 . . . . 0.0 111.926 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . 0.542 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 26.3 m0 -72.54 -38.79 67.91 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 123.346 0.658 . . . . 0.0 112.055 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.56 -46.55 89.44 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.124 1.77 . . . . 0.0 112.249 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.72 -36.9 83.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.927 0.491 . . . . 0.0 110.814 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 42.9 m -62.83 -33.7 75.78 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.84 -24.58 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.667 1.587 . . . . 0.0 113.442 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -66.46 143.67 56.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 111.887 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.063 1.316 . . . . 0.0 113.084 -179.734 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -154.9 -44.99 0.08 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -110.84 -1.96 16.31 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.334 1.453 . . . . 0.0 113.994 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -43.98 95.67 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.685 1.194 . . . . 0.0 111.797 -172.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -64.76 -31.05 72.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.86 -44.42 69.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.359 0.664 . . . . 0.0 110.917 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.262 0.2 OUTLIER -64.94 -43.07 93.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.84 0.856 . . . . 0.0 112.461 178.807 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.02 -41.33 71.18 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.3 2.24 . . . . 0.0 112.553 176.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.08 -54.01 49.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.09 72.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 175.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -41.18 85.72 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.898 1.279 . . . . 0.0 113.409 163.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.31 -23.42 28.11 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.71 -37.26 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.344 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.35 90.12 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.33 0.968 . . . . 0.0 111.058 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtp -66.04 -42.55 89.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.206 0.603 . . . . 0.0 112.424 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.83 -40.14 91.51 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.754 -0.591 . . . . 0.0 111.069 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.48 98.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.224 1.009 . . . . 0.0 112.422 168.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -63.3 -32.4 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.01 94.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.235 1.014 . . . . 0.0 111.464 173.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -76.72 -40.44 48.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.704 0.802 . . . . 0.0 112.493 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.11 66.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.541 0.736 . . . . 0.0 111.84 171.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -60.23 -31.79 70.51 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.341 1.056 . . . . 0.0 113.393 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -77.31 -43.02 34.6 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.232 -0.918 . . . . 0.0 111.751 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -60.24 -30.65 69.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.213 1.005 . . . . 0.0 112.757 172.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.62 37.15 2.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.097 2.159 . . . . 0.0 113.051 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -25.56 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.863 2.065 . . . . 0.0 116.452 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.41 127.78 91.66 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.365 1.466 . . . . 0.0 111.421 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.4 -20.91 61.32 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.214 2.609 . . . . 0.0 114.377 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.14 -34.41 68.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.764 1.226 . . . . 0.0 112.883 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -92.45 -48.29 6.72 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.925 1.69 . . . . 0.0 111.994 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -52.24 -27.89 16.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 114.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -99.4 5.36 46.37 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.141 1.377 . . . . 0.0 114.35 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -116.12 -43.38 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.027 1.731 . . . . 0.0 110.946 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.9 OUTLIER -67.29 -19.31 65.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.147 1.34 . . . . 0.0 111.742 166.439 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.0 -36.71 70.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.324 1.049 . . . . 0.0 113.584 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.533 ' CG ' ' CH2' ' B' ' 47' ' ' TRP . 1.1 tpmt? -75.92 -37.58 58.58 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.628 -0.67 . . . . 0.0 112.388 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.554 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 3.8 mt -59.65 -48.79 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.235 163.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -56.27 -43.0 78.37 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.574 1.534 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -67.78 -40.73 83.97 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.773 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -64.52 -38.97 92.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 112.387 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.654 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 43.0 mm-40 -72.4 -38.99 68.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.413 -0.804 . . . . 0.0 109.805 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -58.34 -36.56 73.62 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.255 -0.903 . . . . 0.0 112.175 169.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.23 -39.97 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.686 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 53.4 m170 -63.44 -44.88 93.26 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.57 1.077 . . . . 0.0 110.948 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.78 -37.88 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.482 1.113 . . . . 0.0 111.737 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.43 -49.17 73.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 120.823 1.647 . . . . 0.0 111.743 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HZ3' ' N ' ' B' ' 37' ' ' ILE . 24.4 m0 -72.66 -41.37 65.49 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.375 0.67 . . . . 0.0 111.751 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.66 -47.19 77.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.685 1.594 . . . . 0.0 111.817 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.68 -43.92 91.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.067 0.547 . . . . 0.0 111.508 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -59.28 -24.6 63.39 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -99.1 -14.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.854 1.662 . . . . 0.0 113.118 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -74.29 24.59 0.08 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 126.168 1.787 . . . . 0.0 115.368 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.277 0 C-N-CA 126.012 1.768 . . . . 0.0 112.935 175.232 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -149.84 -32.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.792 1.237 . . . . 0.0 113.146 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -134.53 2.83 3.26 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -44.11 11.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.058 1.299 . . . . 0.0 111.596 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.51 -38.28 71.57 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.227 -0.92 . . . . 0.0 112.116 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.82 -35.6 80.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.581 1.553 . . . . 0.0 113.031 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.28 -56.1 14.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.092 1.357 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -43.81 69.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.799 2.44 . . . . 0.0 112.707 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.96 -42.81 80.32 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.6 -42.02 95.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.738 0.815 . . . . 0.0 111.911 169.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.6 -33.08 53.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.443 1.497 . . . . 0.0 112.778 170.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -91.01 -24.19 20.16 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.93 -35.11 79.6 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.388 0.995 . . . . 0.0 111.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.04 84.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.191 0.905 . . . . 0.0 110.53 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -60.14 -41.79 93.44 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.522 1.129 . . . . 0.0 112.363 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -68.39 -40.12 81.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.639 0.775 . . . . 0.0 112.017 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.19 97.36 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 169.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.3 -34.83 74.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.888 1.675 . . . . 0.0 113.765 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -60.16 -46.69 88.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.743 1.156 . . . . 0.0 112.549 170.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -75.13 -41.23 58.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.75 -41.43 70.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.317 1.047 . . . . 0.0 111.653 170.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.0 t -63.48 -36.58 84.21 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.179 0.9 . . . . 0.0 112.82 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.93 -46.01 72.7 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.381 -0.824 . . . . 0.0 111.703 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.4 -45.67 92.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.421 1.488 . . . . 0.0 111.564 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.15 34.11 0.87 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.552 2.341 . . . . 0.0 113.877 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -19.98 1.58 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -58.95 129.43 85.74 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 125.405 1.482 . . . . 0.0 111.597 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.03 -22.13 35.89 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.744 2.296 . . . . 0.0 114.78 -162.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.75 -59.07 5.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.134 0.879 . . . . 0.0 111.117 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -62.53 -44.51 96.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.616 1.567 . . . . 0.0 111.412 173.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.67 -20.09 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -100.9 -2.5 31.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.826 1.25 . . . . 0.0 114.103 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.92 -52.47 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.144 1.378 . . . . 0.0 110.576 174.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.46 -18.88 65.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.463 1.029 . . . . 0.0 112.866 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.67 -34.84 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.382 0.673 . . . . 0.0 112.254 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.492 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 27.9 mtpp -68.87 -42.13 77.46 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.25 -0.906 . . . . 0.0 112.106 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.605 ' N ' ' HZ3' ' A' ' 47' ' ' TRP . 3.6 mp -62.34 -49.21 84.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 167.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.09 -41.09 64.6 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.072 1.305 . . . . 0.0 113.213 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.13 -36.97 69.54 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.61 1.096 . . . . 0.0 113.441 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.686 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 38.5 m-20 -64.17 -41.11 97.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.437 1.095 . . . . 0.0 112.19 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.624 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 37.5 mm-40 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.764 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.15 -38.52 73.65 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.12 0.568 . . . . 0.0 111.345 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -64.91 -45.08 87.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.406 0.682 . . . . 0.0 112.328 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.773 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.3 m170 -59.91 -48.58 81.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.632 1.105 . . . . 0.0 111.561 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 21.9 mm -58.05 -37.98 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.899 1.279 . . . . 0.0 112.159 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.18 -42.09 98.95 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.073 -1.017 . . . . 0.0 112.753 173.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . 0.533 ' CH2' ' CG ' ' A' ' 36' ' ' LYS . 27.6 m0 -73.37 -40.67 64.19 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.005 0.922 . . . . 0.0 111.919 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.44 -42.09 73.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.773 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.02 -46.23 82.19 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.3 m -57.7 -29.14 64.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.902 1.281 . . . . 0.0 113.029 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -93.19 -26.76 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 113.668 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.55 156.13 31.11 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.044 0.938 . . . . 0.0 112.208 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 C-N-CA 125.775 1.655 . . . . 0.0 112.958 179.163 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . 0.624 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . 0.654 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.173 0.511 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -136.5 168.14 20.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.393 1.877 . . . . 0.0 109.25 171.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.824 ' HH ' ' CD2' ' B' ' 17' ' ' LEU . 0.1 OUTLIER 53.99 63.59 2.13 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.149 1.379 . . . . 0.0 112.869 177.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.36 -54.2 0.79 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.866 2.066 . . . . 0.0 111.994 -173.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -69.39 -39.86 77.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.753 1.16 . . . . 0.0 111.354 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.7 -29.19 67.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.582 1.153 . . . . 0.0 112.2 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.08 -60.98 1.96 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.852 0.461 . . . . 0.0 110.679 169.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -44.37 35.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.14 2.576 . . . . 0.0 114.159 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -68.5 -48.88 63.26 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -173.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.4 -32.01 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.886 0.874 . . . . 0.0 112.971 170.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.38 -40.41 74.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 111.602 164.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -82.13 -17.97 44.55 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 174.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.44 -36.78 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.125 -0.985 . . . . 0.0 111.917 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.79 85.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.641 0.655 . . . . 0.0 110.913 166.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.8 mmm -66.87 -41.31 87.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.11 0.964 . . . . 0.0 113.248 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -66.99 -41.73 86.24 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.64 -0.662 . . . . 0.0 111.559 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.79 ' CD1' ' HG2' ' B' ' 6' ' ' GLU . 1.3 mt -55.83 -49.9 72.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.725 0.81 . . . . 0.0 112.012 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.673 ' CE1' HD12 ' B' ' 7' ' ' LEU . 2.1 m-85 -57.92 -38.63 76.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.599 1.56 . . . . 0.0 114.129 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -62.21 -33.84 75.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.721 0.808 . . . . 0.0 112.551 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -80.25 -40.99 25.9 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.0 0.92 . . . . 0.0 112.302 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.27 -36.46 68.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 173.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 t -57.88 -34.08 69.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.632 1.173 . . . . 0.0 113.269 170.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.66 -44.75 77.12 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.185 -0.947 . . . . 0.0 111.917 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.3 -44.67 94.36 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.945 0.898 . . . . 0.0 111.667 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.98 28.19 1.22 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.909 2.084 . . . . 0.0 114.113 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -22.91 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.51 129.57 91.27 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.766 1.226 . . . . 0.0 111.448 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.75 -23.89 62.46 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.031 2.487 . . . . 0.0 114.602 -166.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -57.01 -27.47 61.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.592 1.557 . . . . 0.0 114.009 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.01 -38.05 5.67 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.076 1.75 . . . . 0.0 112.631 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.86 -33.79 62.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -87.47 -2.75 58.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.82 -50.13 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.079 1.352 . . . . 0.0 110.414 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.271 0.9 OUTLIER -67.52 -23.0 65.4 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.482 1.037 . . . . 0.0 112.061 173.743 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -60.97 -36.68 80.04 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.734 -1.229 . . . . 0.0 113.656 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -69.0 -34.47 75.32 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.24 -0.912 . . . . 0.0 112.384 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.51 -50.7 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.001 0.92 . . . . 0.0 109.203 166.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -52.4 -38.6 59.41 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 120.321 1.419 . . . . 0.0 112.694 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.87 -41.93 70.72 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.71 ' OD2' ' NE2' ' B' ' 44' ' ' HIS . 22.6 m-20 -61.45 -39.3 90.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.393 1.077 . . . . 0.0 112.167 173.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -75.64 -34.23 60.52 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.986 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -60.8 -38.05 84.05 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.494 -0.754 . . . . 0.0 111.184 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -62.91 -40.41 97.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.721 0.808 . . . . 0.0 112.6 173.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.967 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 55.2 m170 -62.27 -48.73 78.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.323 0.965 . . . . 0.0 111.173 175.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.36 -39.47 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.018 0.927 . . . . 0.0 112.047 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.62 -49.9 69.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.947 0.794 . . . . 0.0 112.069 172.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 1.274 ' CZ3' HG12 ' B' ' 37' ' ' ILE . 19.7 m0 -72.67 -40.68 66.12 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.105 0.562 . . . . 0.0 111.808 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.12 -43.82 82.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.027 1.731 . . . . 0.0 112.182 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -66.87 -41.19 87.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.084 0.554 . . . . 0.0 112.051 172.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -63.4 -26.21 68.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -88.48 -17.1 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.717 1.607 . . . . 0.0 113.204 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.32 163.72 27.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.721 1.208 . . . . 0.0 111.913 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.825 1.679 . . . . 0.0 112.611 -178.471 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -156.51 -178.35 7.28 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.475 1.91 . . . . 0.0 108.841 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -114.07 0.85 14.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -102.28 -36.11 8.61 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -169.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.86 -34.89 75.3 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 118.669 0.668 . . . . 0.0 111.201 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.79 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 26.2 tt0 -54.94 -43.5 73.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.044 1.738 . . . . 0.0 112.532 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.673 HD12 ' CE1' ' A' ' 18' ' ' TYR . 93.9 mt -65.53 -54.94 21.09 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.41 1.084 . . . . 0.0 112.077 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -43.26 35.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.262 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -65.64 -51.94 55.61 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.53 -31.12 72.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -41.41 80.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.431 1.092 . . . . 0.0 112.833 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.44 -20.75 36.35 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.2 -31.53 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 119.094 0.861 . . . . 0.0 111.958 173.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.63 -48.41 48.06 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.278 0.944 . . . . 0.0 110.024 171.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mtp -53.01 -42.63 65.81 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.682 1.128 . . . . 0.0 113.282 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.7 -35.35 70.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.753 -1.217 . . . . 0.0 111.841 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.824 ' CD2' ' HH ' ' A' ' 3' ' ' TYR . 9.4 mt -62.41 -40.25 95.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.407 0.683 . . . . 0.0 111.038 169.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.84 -36.56 81.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.72 2.008 . . . . 0.0 113.253 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtp85 -61.44 -46.47 89.95 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.232 0.924 . . . . 0.0 112.641 172.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.34 -37.14 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.493 0.717 . . . . 0.0 112.649 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.86 64.87 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.184 0.994 . . . . 0.0 111.512 168.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t -64.57 -25.41 67.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -50.01 27.37 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.702 1.137 . . . . 0.0 111.267 172.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -66.3 -39.87 89.62 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.55 39.75 1.01 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.55 1.94 . . . . 0.0 113.14 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -17.15 1.76 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 172.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.85 135.42 77.54 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.43 1.892 . . . . 0.0 112.144 171.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.72 -15.66 33.52 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.556 2.838 . . . . 0.0 115.275 -168.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.31 -40.69 74.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.929 0.892 . . . . 0.0 112.379 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.72 -35.89 16.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.573 1.549 . . . . 0.0 112.903 172.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.94 -3.81 0.86 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -120.85 18.48 11.82 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.885 1.274 . . . . 0.0 113.744 168.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.06 -45.38 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.347 1.859 . . . . 0.0 110.411 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -20.76 60.9 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.193 -0.942 . . . . 0.0 111.629 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.36 -43.77 80.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.367 1.067 . . . . 0.0 112.324 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -70.83 -33.07 70.3 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 1.274 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 93.2 mt -66.91 -46.78 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.836 168.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -42.56 64.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.939 1.245 . . . . 0.0 112.816 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.0 -35.3 76.53 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.2 -39.01 86.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.36 1.064 . . . . 0.0 112.361 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.967 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 51.1 mm-40 -74.74 -37.64 62.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.207 -0.933 . . . . 0.0 110.823 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -36.37 69.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.76 170.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -64.77 -43.11 94.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 0.0 112.432 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.71 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 53.4 m170 -61.9 -41.76 98.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.374 1.069 . . . . 0.0 112.066 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.76 -39.57 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 111.945 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.92 -40.13 96.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.303 0.956 . . . . 0.0 112.935 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -72.22 -38.51 68.97 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.951 0.9 . . . . 0.0 111.843 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -49.68 72.95 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 170.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.91 -44.61 91.28 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -58.48 -30.15 66.77 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -85.99 -20.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.927 1.691 . . . . 0.0 114.185 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -84.27 79.41 9.55 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.18 1.392 . . . . 0.0 112.141 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.371 0 C-N-CA 126.665 2.079 . . . . 0.0 115.308 178.709 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.02 25.15 10.37 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.271 1.396 . . . . 0.0 113.691 -170.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.735 ' HE2' ' HA ' ' B' ' 21' ' ' ALA . 2.3 t80 -152.22 48.42 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.367 1.867 . . . . 0.0 110.428 -173.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.16 -51.87 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 112.146 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -57.27 -41.49 79.81 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.379 1.445 . . . . 0.0 111.835 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -22.12 65.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.688 1.595 . . . . 0.0 113.345 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.54 -51.16 5.25 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.078 1.351 . . . . 0.0 110.312 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -41.35 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.812 2.845 . . . . 0.0 113.018 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -64.93 -50.57 65.94 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.13 -35.06 77.5 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.191 0.997 . . . . 0.0 112.497 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.03 -34.88 70.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.459 1.104 . . . . 0.0 112.473 166.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -87.01 -21.11 26.34 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.27 -38.23 87.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.21 0.914 . . . . 0.0 111.36 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.11 90.17 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 118.683 0.674 . . . . 0.0 110.215 168.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -62.11 -41.82 98.61 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.93 -36.29 75.21 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.477 1.035 . . . . 0.0 112.34 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.6 -45.93 92.01 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -58.19 -38.86 77.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.405 1.882 . . . . 0.0 113.288 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.94 -30.18 68.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.296 1.438 . . . . 0.0 113.696 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -96.46 -41.34 8.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.682 1.193 . . . . 0.0 112.221 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.4 -33.56 54.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.156 0.982 . . . . 0.0 111.85 167.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -57.54 -35.99 71.04 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.93 -45.29 71.18 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.962 -1.086 . . . . 0.0 112.206 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -61.24 -33.77 74.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.184 0.993 . . . . 0.0 112.631 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.15 16.93 10.33 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.693 1.997 . . . . 0.0 115.059 -175.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -45.5 -18.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 118.421 2.748 . . . . 0.0 118.421 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -63.76 124.71 85.77 Favored Pre-proline 0 CA--C 1.553 1.088 0 CA-C-N 119.351 0.978 . . . . 0.0 109.899 168.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.78 -26.95 75.09 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.751 2.301 . . . . 0.0 113.891 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.4 -33.53 30.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.511 1.524 . . . . 0.0 114.369 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -104.11 -39.51 6.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.683 1.993 . . . . 0.0 112.698 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -59.69 -22.05 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -101.19 7.56 43.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.21 1.404 . . . . 0.0 114.027 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -114.48 -44.81 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 110.994 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -15.08 63.41 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.869 1.213 . . . . 0.0 111.956 168.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.53 -36.92 81.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -65.33 -39.41 92.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.172 0.896 . . . . 0.0 112.242 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 77.6 mt -62.15 -53.19 50.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 108.28 169.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 mt -50.45 -41.28 52.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.49 1.496 . . . . 0.0 113.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.36 -46.8 69.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.67 1.123 . . . . 0.0 113.391 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.726 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 33.8 m-20 -59.19 -35.41 73.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.825 1.65 . . . . 0.0 112.675 172.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -87.72 -33.09 18.85 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 110.893 -167.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.96 -32.55 74.1 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 111.732 163.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -59.97 -40.55 89.45 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.11 0.964 . . . . 0.0 112.117 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.742 ' CE1' HG22 ' B' ' 37' ' ' ILE . 57.8 m170 -62.55 -43.11 99.63 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.282 1.033 . . . . 0.0 111.904 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.6 -42.2 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.425 1.09 . . . . 0.0 112.041 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.53 -40.75 83.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.313 0.961 . . . . 0.0 112.558 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.998 ' CE3' HG13 ' B' ' 37' ' ' ILE . 22.1 m0 -75.29 -40.29 58.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.84 0.856 . . . . 0.0 111.9 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.49 -41.93 81.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.602 1.561 . . . . 0.0 113.042 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -25.22 61.98 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.808 0.843 . . . . 0.0 113.245 173.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 m -76.47 -31.18 57.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.379 1.072 . . . . 0.0 111.109 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.571 HD13 ' CG1' ' B' ' 33' ' ' VAL . 62.0 mt -76.82 -17.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.559 1.944 . . . . 0.0 112.745 174.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -57.02 142.52 41.75 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.685 1.194 . . . . 0.0 112.039 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.49 1.519 . . . . 0.0 112.837 -171.681 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ttm . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 59.64 117.36 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.825 2.05 . . . . 0.0 113.383 -160.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -141.68 30.81 1.67 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.86 1.264 . . . . 0.0 112.127 -170.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.54 -46.01 1.77 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -58.49 -41.5 85.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.667 0.787 . . . . 0.0 110.827 168.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.47 -35.58 78.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.069 0.948 . . . . 0.0 112.66 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.0 -60.68 2.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.911 0.884 . . . . 0.0 110.487 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -43.76 66.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.23 2.212 . . . . 0.0 111.748 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -67.4 -41.96 84.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.11 -35.15 69.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.154 0.888 . . . . 0.0 112.934 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.8 -39.48 65.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.271 1.429 . . . . 0.0 111.893 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.74 -18.26 35.72 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -68.33 -39.08 82.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.661 1.119 . . . . 0.0 111.447 172.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.97 88.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.71 0.686 . . . . 0.0 110.927 171.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.5 tpt -65.72 -44.66 85.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.937 1.695 . . . . 0.0 111.961 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -65.07 -36.21 83.62 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.602 -1.311 . . . . 0.0 112.492 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.46 -47.36 86.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.997 167.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.23 -33.59 74.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.872 1.669 . . . . 0.0 114.288 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.09 -47.5 71.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.526 1.13 . . . . 0.0 112.403 168.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -91.38 -31.8 15.91 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.93 0.892 . . . . 0.0 112.833 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.735 ' HA ' ' HE2' ' A' ' 3' ' ' TYR . . . -55.63 -32.18 62.94 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.395 1.478 . . . . 0.0 112.846 171.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.4 t -60.23 -38.57 83.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.099 0.96 . . . . 0.0 112.955 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.32 -38.12 51.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.112 1.365 . . . . 0.0 112.559 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -64.97 -34.27 78.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.587 1.155 . . . . 0.0 113.227 173.059 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.684 0.794 . . . . 0.0 111.808 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 48.13 17.59 0.12 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.204 2.202 . . . . 0.0 115.565 -172.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -120.63 134.69 24.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.416 1.487 . . . . 0.0 110.75 -170.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -65.83 -26.84 52.01 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.125 2.55 . . . . 0.0 114.11 -166.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -62.24 -46.51 88.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.772 0.796 . . . . 0.0 112.005 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -73.45 -39.31 65.05 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.421 1.488 . . . . 0.0 111.571 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -60.81 -4.33 0.96 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.86 2.064 . . . . 0.0 114.228 172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -123.04 12.47 9.65 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.938 1.695 . . . . 0.0 113.368 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.571 ' CG1' HD13 ' A' ' 51' ' ' ILE . 23.6 t -121.4 -43.71 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.499 1.92 . . . . 0.0 110.691 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -17.06 59.81 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.638 1.108 . . . . 0.0 111.02 170.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -69.83 -39.56 76.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.903 1.281 . . . . 0.0 112.356 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -68.13 -39.01 82.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.428 -0.795 . . . . 0.0 112.938 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.998 HG13 ' CE3' ' A' ' 47' ' ' TRP . 83.9 mt -61.84 -51.3 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.726 167.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.78 -43.46 63.03 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 120.445 1.475 . . . . 0.0 113.571 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.15 -30.67 67.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.884 1.22 . . . . 0.0 113.737 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' HE2' ' A' ' 44' ' ' HIS . 16.6 m-20 -71.87 -34.38 69.15 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.792 1.637 . . . . 0.0 112.754 168.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.651 ' OE1' ' ND1' ' A' ' 44' ' ' HIS . 6.9 tp10 -93.52 -38.14 11.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.074 1.349 . . . . 0.0 111.09 -161.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.91 -27.86 68.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.431 1.092 . . . . 0.0 111.047 163.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -65.95 -39.08 90.13 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.726 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.7 m170 -59.55 -45.17 92.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.006 0.923 . . . . 0.0 111.232 173.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 44.5 mm -56.9 -44.06 81.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.26 -43.68 78.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 120.176 1.353 . . . . 0.0 112.06 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -72.71 -44.64 61.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.343 0.657 . . . . 0.0 111.421 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.01 -39.94 60.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.854 1.662 . . . . 0.0 112.327 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.48 -44.21 62.6 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.202 1.001 . . . . 0.0 112.597 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -57.72 -26.82 62.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.773 0.829 . . . . 0.0 112.665 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.62 -6.51 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 127.048 2.139 . . . . 0.0 113.297 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -130.36 62.68 1.58 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.29 1.436 . . . . 0.0 112.001 -169.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 C-N-CA 125.887 1.708 . . . . 0.0 113.542 178.118 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . 0.619 'ZN ' ' OE1' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.2 -40.36 89.82 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.464 ' HE1' HD21 ' B' ' 17' ' ' LEU . 0.1 OUTLIER 47.51 47.32 17.43 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.34 1.856 . . . . 0.0 114.717 174.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -139.94 -44.29 0.43 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.249 1.42 . . . . 0.0 113.126 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -63.08 -38.26 90.47 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 111.265 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.78 -40.99 90.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.506 1.523 . . . . 0.0 112.388 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 63.7 mt -67.36 -55.71 12.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.684 0.793 . . . . 0.0 110.808 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -47.43 45.36 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.221 2.608 . . . . 0.0 112.88 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.97 -48.69 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.33 -33.45 75.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.59 -37.68 70.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.411 1.084 . . . . 0.0 111.971 164.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.73 -19.48 41.36 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -36.07 81.43 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.986 1.266 . . . . 0.0 111.748 174.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.15 81.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.687 0.676 . . . . 0.0 110.896 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 tpp -60.3 -41.53 93.62 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.195 0.998 . . . . 0.0 112.971 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.19 -38.45 75.34 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.249 -0.907 . . . . 0.0 111.771 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB3' HD21 ' B' ' 7' ' ' LEU . 5.3 mt -58.32 -49.72 76.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.242 0.617 . . . . 0.0 111.224 167.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -54.42 -37.56 65.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.766 1.627 . . . . 0.0 114.54 172.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -60.54 -28.47 68.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.746 1.218 . . . . 0.0 113.427 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.46 -36.33 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.057 1.343 . . . . 0.0 112.626 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.74 56.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.048 0.939 . . . . 0.0 111.654 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -56.7 -34.53 67.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.533 1.133 . . . . 0.0 113.622 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -72.38 -44.45 62.52 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.007 -1.058 . . . . 0.0 111.928 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.23 -18.71 63.83 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.649 1.179 . . . . 0.0 113.465 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.72 30.2 7.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.761 2.425 . . . . 0.0 112.616 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -48.83 -25.77 2.05 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.26 133.97 95.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.801 2.04 . . . . 0.0 111.465 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -63.3 -20.23 70.01 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.719 2.279 . . . . 0.0 113.487 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -56.58 -20.34 20.39 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.994 2.118 . . . . 0.0 114.599 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -126.06 -35.05 2.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.067 1.747 . . . . 0.0 113.255 175.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -66.65 2.15 1.47 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -125.68 17.95 8.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.895 1.678 . . . . 0.0 112.662 167.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -121.98 -50.01 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.797 1.639 . . . . 0.0 110.656 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -19.98 65.44 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.406 1.003 . . . . 0.0 110.759 170.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.1 -29.9 71.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.163 1.385 . . . . 0.0 112.785 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -40.43 53.73 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.525 -0.735 . . . . 0.0 110.886 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -61.21 -48.68 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.263 1.025 . . . . 0.0 109.515 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -53.69 -40.67 66.2 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.69 1.132 . . . . 0.0 112.821 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -67.31 -43.83 80.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.951 0.796 . . . . 0.0 113.046 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 11.8 m-20 -60.25 -39.95 88.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.789 1.236 . . . . 0.0 112.18 173.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -74.8 -36.71 62.48 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.278 -0.889 . . . . 0.0 111.176 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.42 -36.2 77.59 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.651 -0.656 . . . . 0.0 111.329 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -66.15 -41.29 90.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.574 0.75 . . . . 0.0 112.534 172.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.405 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 55.9 m170 -61.59 -47.87 83.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.464 1.029 . . . . 0.0 111.521 174.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.14 -42.16 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 124.179 0.992 . . . . 0.0 111.113 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -56.26 -42.53 77.54 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.689 1.131 . . . . 0.0 112.207 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.1 m0 -75.19 -39.09 60.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 112.679 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.06 -41.83 98.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.59 -33.02 74.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.85 1.26 . . . . 0.0 112.058 169.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.2 m -71.3 -33.7 69.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.28 0.562 . . . . 0.0 111.098 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.88 -15.02 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.151 1.78 . . . . 0.0 113.174 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -104.05 34.0 3.22 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.475 1.91 . . . . 0.0 113.203 -176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 CA-C-O 118.337 -1.257 . . . . 0.0 113.732 175.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -123.34 40.24 3.77 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.074 1.306 . . . . 0.0 113.817 -160.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -134.04 51.17 2.14 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.576 1.15 . . . . 0.0 113.435 -168.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.42 -53.27 0.78 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -54.45 -34.65 61.85 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.581 1.152 . . . . 0.0 112.23 167.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.28 -46.44 64.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.477 0.711 . . . . 0.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 17' ' ' LEU . 28.3 mt -59.72 -51.65 68.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.111 0.964 . . . . 0.0 110.792 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.83 -41.45 61.79 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.969 2.508 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -56.75 13.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.97 -32.17 73.62 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.37 0.668 . . . . 0.0 112.556 175.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.63 -38.06 74.37 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.489 1.115 . . . . 0.0 113.277 165.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.35 -19.97 28.99 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 174.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -64.68 -33.92 77.09 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.305 0.957 . . . . 0.0 111.859 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.14 67.02 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.176 0.898 . . . . 0.0 110.676 170.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.87 -36.88 68.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -79.94 -32.05 40.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.464 HD21 ' HE1' ' A' ' 3' ' ' TYR . 6.1 mt -58.03 -47.43 83.11 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.417 162.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -56.88 -42.42 79.79 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.758 1.623 . . . . 0.0 114.256 172.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -61.29 -28.13 68.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -103.27 -37.24 7.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.936 0.894 . . . . 0.0 112.703 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.51 -39.14 60.96 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.735 1.214 . . . . 0.0 111.419 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -65.47 -24.92 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.02 -42.34 57.48 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.02 -1.05 . . . . 0.0 111.198 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -48.99 31.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.421 1.088 . . . . 0.0 111.603 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.55 47.79 0.86 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.52 1.928 . . . . 0.0 112.339 171.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -13.35 9.96 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.27 133.16 95.36 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 126.074 1.75 . . . . 0.0 111.171 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.78 -16.3 45.85 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.37 2.713 . . . . 0.0 114.579 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.23 -64.02 0.99 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 111.15 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -37.48 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.168 0.987 . . . . 0.0 111.539 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -66.65 -0.56 2.96 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t -123.58 16.7 9.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.825 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.88 -50.94 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.869 1.668 . . . . 0.0 109.898 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -19.13 61.54 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.376 -0.828 . . . . 0.0 111.802 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.32 -34.48 68.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.931 0.892 . . . . 0.0 112.438 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -72.83 -35.5 67.3 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.384 -0.822 . . . . 0.0 112.051 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.445 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 88.2 mt -59.87 -57.78 10.15 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-O 117.338 -1.315 . . . . 0.0 108.972 164.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.32 0.5 OUTLIER -59.71 -29.39 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 121.375 1.898 . . . . 0.0 113.523 -173.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.95 -41.16 68.09 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.569 1.077 . . . . 0.0 113.798 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.405 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 11.1 m-20 -61.12 -37.52 83.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.993 1.317 . . . . 0.0 111.996 167.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.69 -36.65 43.27 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.05 1.34 . . . . 0.0 111.72 -169.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.77 -33.11 74.5 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.837 0.855 . . . . 0.0 111.538 167.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -60.24 -37.2 79.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.346 1.058 . . . . 0.0 112.482 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.427 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.1 m170 -65.7 -42.53 91.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.13 0.972 . . . . 0.0 112.279 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.06 -40.21 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.734 0.814 . . . . 0.0 110.598 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.07 -46.13 75.42 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.008 0.822 . . . . 0.0 112.741 171.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -73.58 -40.02 64.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.928 0.891 . . . . 0.0 112.363 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.19 -44.7 83.86 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.969 1.708 . . . . 0.0 111.911 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.29 -31.28 72.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.646 0.779 . . . . 0.0 112.468 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 12.1 m -74.6 -29.07 61.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.913 -0.492 . . . . 0.0 111.62 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.8 -25.1 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.094 1.358 . . . . 0.0 112.96 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.29 91.34 4.4 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.804 1.642 . . . . 0.0 112.013 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.191 0 C-N-CA 124.928 1.251 . . . . 0.0 113.229 175.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.23 -0.414 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -138.87 -49.28 0.51 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.131 0.878 . . . . 0.0 113.259 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -144.76 43.4 1.36 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pp -133.54 -52.08 0.87 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 169.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.711 1.141 . . . . 0.0 112.099 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.87 -43.29 96.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.909 0.884 . . . . 0.0 112.45 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.96 -49.31 75.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.191 0.996 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.9 65.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.948 2.499 . . . . 0.0 113.291 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.79 -53.22 35.13 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -35.33 79.44 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 112.784 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.1 -43.84 74.37 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.199 1.0 . . . . 0.0 112.431 166.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -84.32 -23.28 30.31 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.6 -35.53 77.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.074 0.852 . . . . 0.0 111.775 172.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.12 74.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.151 0.887 . . . . 0.0 110.808 169.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.53 -40.12 86.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.311 1.044 . . . . 0.0 112.716 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -41.05 80.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.325 -0.86 . . . . 0.0 111.519 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' HB3' HD22 ' B' ' 7' ' ' LEU . 8.3 mt -58.74 -46.98 86.19 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.854 0.862 . . . . 0.0 111.204 171.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -53.21 -43.71 67.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.526 1.53 . . . . 0.0 114.744 168.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -63.35 -31.06 72.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.96 1.254 . . . . 0.0 114.013 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.6 -39.62 13.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.012 0.925 . . . . 0.0 112.178 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.48 61.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 111.63 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 t -59.67 -38.5 81.67 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.497 1.119 . . . . 0.0 113.718 173.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.224 -0.922 . . . . 0.0 110.334 171.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' HB3' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -57.88 -35.98 71.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.014 1.326 . . . . 0.0 113.617 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.23 24.75 4.19 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.41 2.284 . . . . 0.0 113.948 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -17.76 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.65 119.5 44.44 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 119.604 1.093 . . . . 0.0 111.1 166.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.94 -16.31 40.9 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.936 3.091 . . . . 0.0 115.506 -156.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.25 -68.61 0.36 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.877 1.271 . . . . 0.0 110.737 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -39.76 64.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.803 1.641 . . . . 0.0 111.854 167.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -56.85 -28.59 61.88 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -95.78 3.23 53.96 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.68 -50.47 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.011 1.324 . . . . 0.0 110.403 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -19.78 65.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.516 1.053 . . . . 0.0 112.694 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -57.52 -39.97 77.72 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.902 0.881 . . . . 0.0 113.218 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.73 -39.84 88.13 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.532 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.55 -47.06 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.418 172.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.284 0.1 OUTLIER -58.72 -38.56 78.6 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.432 1.014 . . . . 0.0 111.898 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -72.73 -36.3 67.74 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.31 0.959 . . . . 0.0 113.328 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -63.87 -40.7 97.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.739 1.215 . . . . 0.0 112.555 168.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.47 -38.18 84.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.553 -0.717 . . . . 0.0 110.167 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.42 -39.61 76.57 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.164 -0.96 . . . . 0.0 112.846 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -64.89 -43.19 93.7 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.565 -0.71 . . . . 0.0 111.853 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -61.23 -42.85 99.32 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.048 0.939 . . . . 0.0 112.308 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.06 -42.58 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 111.252 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.59 -41.99 95.83 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.973 0.806 . . . . 0.0 112.575 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -73.65 -32.91 64.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.452 1.101 . . . . 0.0 112.079 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -48.84 79.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.345 1.058 . . . . 0.0 112.077 173.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -23.31 67.32 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.223 0.609 . . . . 0.0 112.456 172.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -79.84 -30.75 40.45 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.61 0.764 . . . . 0.0 112.333 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.13 -24.03 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.616 1.566 . . . . 0.0 112.801 172.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -67.13 160.09 27.51 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.144 1.378 . . . . 0.0 112.426 168.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 118.203 -1.332 . . . . 0.0 112.975 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -140.99 51.46 1.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.671 0.788 . . . . 0.0 111.326 -154.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 24' ' ' LYS . 12.1 p90 -133.02 49.34 2.32 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.645 1.178 . . . . 0.0 113.508 -165.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -126.13 -43.19 1.82 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -66.13 -36.7 83.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.808 0.843 . . . . 0.0 111.811 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.67 -42.96 99.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.383 1.473 . . . . 0.0 112.646 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 17' ' ' LEU . 40.3 mt -62.19 -55.95 23.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -43.49 70.38 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 128.581 2.753 . . . . 0.0 112.716 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.35 -48.55 72.59 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.64 -36.69 85.07 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.203 0.91 . . . . 0.0 112.28 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.89 -37.4 68.81 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.676 1.19 . . . . 0.0 113.448 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -88.56 -24.09 22.97 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -66.97 -35.26 79.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.944 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.3 80.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.306 0.957 . . . . 0.0 110.486 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -43.83 93.56 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.066 0.946 . . . . 0.0 113.009 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.37 -36.45 79.22 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.45 -1.406 . . . . 0.0 112.761 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.44 -42.67 87.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.09 0.556 . . . . 0.0 111.553 167.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.27 -43.13 99.53 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.866 1.666 . . . . 0.0 113.063 175.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -44.59 83.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.988 1.315 . . . . 0.0 111.627 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.09 -35.22 21.96 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.1 -33.94 65.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.284 0.633 . . . . 0.0 111.661 170.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -56.05 -30.92 62.64 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.138 0.975 . . . . 0.0 113.602 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.51 -44.48 74.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.03 -1.044 . . . . 0.0 112.523 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.39 -41.37 76.54 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.681 -0.637 . . . . 0.0 112.253 172.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.16 21.74 0.57 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.109 2.164 . . . . 0.0 114.13 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.03 2.23 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -58.85 130.32 85.91 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.026 0.93 . . . . 0.0 110.142 170.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -62.36 -21.89 73.32 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 122.986 2.457 . . . . 0.0 114.024 -170.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.69 -43.62 98.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 112.738 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.9 -36.79 13.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.422 1.489 . . . . 0.0 112.437 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.12 -29.02 60.08 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -97.42 11.74 35.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.98 -46.37 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.759 1.224 . . . . 0.0 110.421 172.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -18.26 63.39 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.59 1.086 . . . . 0.0 112.532 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.13 -43.0 96.0 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.864 . . . . 0.0 113.09 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -69.44 -36.6 76.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.362 -0.836 . . . . 0.0 112.656 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.3 -52.01 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.886 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.282 0.4 OUTLIER -61.12 -33.69 73.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.383 1.447 . . . . 0.0 112.714 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.95 -37.98 69.86 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.366 -0.834 . . . . 0.0 113.009 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -61.46 -38.48 87.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.535 1.134 . . . . 0.0 112.043 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -70.92 -37.9 72.93 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.135 -0.978 . . . . 0.0 111.567 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.62 -37.75 76.54 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.221 -0.924 . . . . 0.0 111.702 170.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -61.99 -43.62 98.46 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 112.314 171.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -63.09 -43.1 99.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.698 1.136 . . . . 0.0 112.197 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.36 -39.45 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.259 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.84 -45.17 86.63 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.675 1.125 . . . . 0.0 112.535 171.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -72.79 -37.77 67.47 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.537 -0.727 . . . . 0.0 112.389 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.46 -44.76 89.36 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.828 1.651 . . . . 0.0 111.785 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.51 -35.52 77.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.24 0.616 . . . . 0.0 112.172 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -71.15 -21.98 62.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.968 0.507 . . . . 0.0 112.333 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.02 -16.29 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.098 1.759 . . . . 0.0 113.604 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.78 154.64 36.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.309 173.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.167 0 C-N-CA 125.222 1.391 . . . . 0.0 112.937 -179.822 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.86 -52.02 34.18 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.91 45.43 0.13 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -171.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.96 -51.09 0.6 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 169.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.41 69.31 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.527 -1.358 . . . . 0.0 111.864 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.33 -25.1 32.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.853 . . . . 0.0 113.292 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.55 -45.92 5.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 111.866 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -38.74 10.88 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.115 2.166 . . . . 0.0 112.57 172.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -65.41 -53.55 41.47 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.14 -36.11 82.52 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.857 0.863 . . . . 0.0 112.55 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.83 -41.69 71.0 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.839 1.256 . . . . 0.0 111.832 168.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -80.66 -25.8 38.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.03 -34.96 79.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.144 0.884 . . . . 0.0 111.975 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.52 80.21 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.779 169.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -64.01 -36.15 83.06 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.997 1.271 . . . . 0.0 112.802 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -69.71 -40.65 76.14 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.303 1.041 . . . . 0.0 111.876 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD12 HD11 ' B' ' 7' ' ' LEU . 10.0 mt -61.07 -42.67 98.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.071 0.948 . . . . 0.0 112.604 168.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.48 -34.05 76.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.766 1.626 . . . . 0.0 113.117 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -54.06 -43.68 70.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.53 0.732 . . . . 0.0 112.431 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.77 -38.68 21.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.016 0.926 . . . . 0.0 113.033 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.56 -37.53 73.28 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.571 0.749 . . . . 0.0 112.309 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 t -61.14 -41.02 95.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.565 0.746 . . . . 0.0 112.83 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.58 -43.89 71.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.079 -1.013 . . . . 0.0 112.361 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.75 -29.54 67.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.589 1.156 . . . . 0.0 113.192 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.58 -58.06 8.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.604 1.161 . . . . 0.0 112.678 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER 34.81 28.39 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.543 2.337 . . . . 0.0 116.666 -169.092 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -134.86 130.43 19.6 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.621 1.569 . . . . 0.0 110.873 -172.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -67.08 -22.81 46.99 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.517 2.811 . . . . 0.0 114.708 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.06 -27.38 68.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.422 1.089 . . . . 0.0 112.884 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.25 -28.27 5.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.625 1.97 . . . . 0.0 113.913 178.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.58 -21.53 53.33 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.629 1.104 . . . . 0.0 113.965 168.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -103.41 11.07 36.99 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.219 1.408 . . . . 0.0 113.836 174.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -114.64 -44.42 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.914 1.286 . . . . 0.0 110.798 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -18.69 65.5 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.572 1.078 . . . . 0.0 112.499 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -65.17 -34.91 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.076 -1.015 . . . . 0.0 113.704 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -69.07 -39.51 79.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.061 0.846 . . . . 0.0 112.522 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.5 mt -60.06 -49.14 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.176 168.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.12 -40.17 60.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.412 1.46 . . . . 0.0 113.031 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.46 -36.06 63.32 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.82 -43.24 99.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.365 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.78 -33.06 71.89 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.766 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.79 -37.68 85.26 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.085 -1.009 . . . . 0.0 112.661 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -66.49 -37.98 86.26 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.994 0.815 . . . . 0.0 112.164 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -61.6 -46.44 89.84 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 0.0 111.216 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.27 -39.57 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.51 1.124 . . . . 0.0 112.037 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.21 -49.74 68.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.096 1.316 . . . . 0.0 111.649 172.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 26.7 m0 -71.47 -40.05 70.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.13 0.572 . . . . 0.0 111.355 -176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.88 -47.97 81.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.987 1.315 . . . . 0.0 112.38 174.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -32.54 70.54 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.444 -0.785 . . . . 0.0 112.301 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -62.46 -38.46 89.9 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.918 -1.114 . . . . 0.0 113.223 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.8 mm -75.87 -14.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 0.0 112.923 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -73.01 40.49 0.09 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 126.744 2.018 . . . . 0.0 114.491 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.387 1.47 . . . . 0.0 113.238 174.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.58 -50.43 0.61 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.997 0.919 . . . . 0.0 112.49 -175.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . 0.266 46.7 p90 41.66 37.8 0.8 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 127.922 2.489 . . . . 0.0 116.956 169.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.85 -47.93 0.87 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -63.12 -36.56 84.01 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.51 1.05 . . . . 0.0 111.695 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.46 -48.54 78.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.618 1.567 . . . . 0.0 112.042 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 17' ' ' LEU . 9.5 mp -67.18 -53.57 29.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.104 1.762 . . . . 0.0 112.24 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -47.24 59.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.522 1.929 . . . . 0.0 112.178 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -61.39 -44.21 97.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.53 -38.89 88.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.348 0.977 . . . . 0.0 113.017 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.02 -36.2 65.24 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.715 1.606 . . . . 0.0 112.497 167.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -86.36 -26.51 24.78 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -64.31 -36.45 84.16 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.355 -0.84 . . . . 0.0 111.048 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.86 81.61 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 122.94 0.496 . . . . 0.0 110.148 171.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -39.93 89.28 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.412 1.005 . . . . 0.0 112.287 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.81 0.844 . . . . 0.0 111.622 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.38 -43.42 88.5 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.521 0.728 . . . . 0.0 111.718 167.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.59 -28.25 67.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.658 1.583 . . . . 0.0 113.531 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.31 -47.76 80.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.9 0.773 . . . . 0.0 112.833 167.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -34.89 30.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.764 -174.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.65 64.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.836 1.655 . . . . 0.0 112.138 172.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.85 -40.77 96.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.317 0.647 . . . . 0.0 112.403 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.63 -44.08 65.01 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 120.985 -1.072 . . . . 0.0 112.299 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -70.68 -23.24 62.45 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.21 23.29 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.897 0.879 . . . . 0.0 112.168 164.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER 37.29 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.995 2.118 . . . . 0.0 115.83 -166.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -124.99 127.35 25.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.026 1.73 . . . . 0.0 110.363 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.22 -27.6 41.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.285 2.657 . . . . 0.0 114.225 -165.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.46 -48.23 82.1 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.707 0.803 . . . . 0.0 111.712 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -60.54 -43.23 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.886 1.274 . . . . 0.0 110.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.65 -2.48 0.36 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.861 2.064 . . . . 0.0 115.278 172.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -124.71 10.1 8.35 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.296 1.438 . . . . 0.0 112.996 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.31 -42.46 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.311 1.444 . . . . 0.0 110.802 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -18.11 55.5 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.851 1.205 . . . . 0.0 111.66 173.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -64.47 -42.89 95.64 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.796 0.839 . . . . 0.0 112.135 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.96 -34.99 76.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.463 -0.773 . . . . 0.0 112.483 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.56 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 69.7 mt -64.35 -52.82 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.153 169.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.302 0.4 OUTLIER -60.15 -33.86 72.76 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.185 1.357 . . . . 0.0 112.752 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.7 -36.49 67.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 120.293 1.406 . . . . 0.0 113.847 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.54 -43.56 98.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.161 0.984 . . . . 0.0 111.454 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.28 -34.07 72.34 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.627 -0.671 . . . . 0.0 111.002 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -63.94 -39.64 94.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.594 0.757 . . . . 0.0 112.136 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.358 -0.839 . . . . 0.0 111.609 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.82 -17.36 22.91 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 116.879 -1.534 . . . . 0.0 113.524 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -80.81 -44.45 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 122.188 2.267 . . . . 0.0 109.075 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.1 -34.37 63.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.809 1.244 . . . . 0.0 112.002 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 36.9 m0 -80.02 -41.87 24.92 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.343 1.057 . . . . 0.0 112.329 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -48.58 80.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.791 0.837 . . . . 0.0 112.253 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -27.95 69.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.463 0.705 . . . . 0.0 112.772 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -33.02 71.0 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.221 -0.924 . . . . 0.0 112.487 171.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.42 -18.51 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 113.46 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.97 104.46 0.87 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.536 1.534 . . . . 0.0 112.022 173.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.25 1.405 . . . . 0.0 113.045 179.14 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -64.84 -38.73 91.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.904 1.282 . . . . 0.0 112.195 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.82 -42.82 85.22 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.469 1.108 . . . . 0.0 111.733 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.76 -54.48 44.64 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.904 0.882 . . . . 0.0 111.545 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -44.09 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.414 1.885 . . . . 0.0 112.24 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -64.35 -44.35 91.72 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.33 -37.77 80.88 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.463 1.029 . . . . 0.0 112.53 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.78 -40.25 66.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.183 1.793 . . . . 0.0 112.01 165.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.58 -23.03 29.83 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -68.49 -36.87 79.53 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.438 1.017 . . . . 0.0 112.019 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.58 89.03 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.629 0.65 . . . . 0.0 109.618 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.8 tpp -60.67 -41.12 94.42 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.221 0.918 . . . . 0.0 112.837 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -37.47 81.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.251 1.02 . . . . 0.0 111.545 177.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.11 -47.1 86.11 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.618 0.767 . . . . 0.0 112.085 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -61.71 -32.68 72.91 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.737 1.615 . . . . 0.0 113.651 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -53.67 -35.66 61.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.633 1.573 . . . . 0.0 112.855 171.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.65 -35.12 11.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.591 1.556 . . . . 0.0 112.489 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.86 60.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 112.013 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 t -56.58 -30.76 63.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.668 1.587 . . . . 0.0 114.401 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.8 -43.2 47.42 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.72 -1.238 . . . . 0.0 112.073 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -68.56 -34.61 76.12 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.626 -0.671 . . . . 0.0 112.508 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 25.63 0.12 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.869 2.068 . . . . 0.0 114.149 172.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -52.28 -25.65 10.0 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.23 125.82 86.39 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.93 1.292 . . . . 0.0 110.509 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.42 -16.18 42.96 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 123.095 2.53 . . . . 0.0 114.33 -165.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -66.35 -51.62 55.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.466 0.706 . . . . 0.0 110.197 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -64.68 -43.57 93.11 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.419 1.488 . . . . 0.0 111.335 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -69.91 7.54 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -126.64 13.02 7.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.661 1.584 . . . . 0.0 112.718 166.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.66 -48.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.676 1.591 . . . . 0.0 110.735 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -16.59 62.09 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.139 1.336 . . . . 0.0 112.006 169.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -66.85 -39.29 87.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.596 1.158 . . . . 0.0 112.307 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.7 mmpt? -70.04 -33.64 72.23 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.651 -0.656 . . . . 0.0 112.654 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.91 -57.93 9.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.4 mt -48.21 -43.11 31.72 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.677 1.581 . . . . 0.0 113.803 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.76 -38.07 76.62 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -68.79 -34.26 75.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.34 1.456 . . . . 0.0 112.798 171.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.73 -32.48 17.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.951 1.7 . . . . 0.0 109.976 -164.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.91 -37.12 81.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.551 1.141 . . . . 0.0 112.254 159.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -35.36 77.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.049 0.94 . . . . 0.0 112.795 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -63.89 -56.92 11.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.03 1.332 . . . . 0.0 111.734 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 mp -42.87 -44.33 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 126.074 1.75 . . . . 0.0 113.17 163.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -40.09 84.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.027 -1.045 . . . . 0.0 113.087 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -80.8 -38.73 27.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.51 1.124 . . . . 0.0 112.264 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.44 -35.89 60.97 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 125.869 1.668 . . . . 0.0 112.069 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -65.52 -41.4 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.652 0.781 . . . . 0.0 113.069 171.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.0 mt -86.57 -22.35 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.602 1.561 . . . . 0.0 113.231 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.552 1.031 0 C-N-CA 125.283 1.433 . . . . 0.0 113.008 -178.248 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -37.44 68.61 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.036 0.835 . . . . 0.0 111.388 169.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.37 -39.51 87.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.819 1.248 . . . . 0.0 112.744 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.01 -58.07 4.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -43.51 76.83 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.459 2.304 . . . . 0.0 112.562 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.83 -45.85 76.97 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -38.42 91.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.993 0.815 . . . . 0.0 112.371 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -42.47 69.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.571 1.548 . . . . 0.0 112.916 168.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -85.56 -23.79 27.49 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.81 -25.25 66.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.45 -0.781 . . . . 0.0 111.917 171.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -51.03 17.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.285 0.948 . . . . 0.0 110.019 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -50.5 -43.57 55.7 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.712 1.142 . . . . 0.0 113.125 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.96 -33.96 68.59 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.059 -1.026 . . . . 0.0 112.946 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.17 -40.26 95.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.197 0.453 . . . . 0.0 111.084 168.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.36 -33.06 74.98 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.685 1.594 . . . . 0.0 112.977 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -61.08 -49.98 75.13 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.791 1.178 . . . . 0.0 113.16 168.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.99 -40.26 63.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.727 0.811 . . . . 0.0 111.947 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.6 -38.8 72.54 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.878 0.871 . . . . 0.0 111.713 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.99 -34.64 76.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.752 1.16 . . . . 0.0 113.297 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.01 -41.83 99.66 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.09 -1.006 . . . . 0.0 112.352 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -73.84 -43.66 57.99 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.593 1.157 . . . . 0.0 112.324 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.71 26.98 0.17 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.582 2.353 . . . . 0.0 114.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -56.09 -18.34 9.49 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.76 134.37 86.54 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.518 1.527 . . . . 0.0 111.501 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.04 -22.34 55.13 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.125 2.55 . . . . 0.0 114.713 -168.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.06 -61.8 2.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.665 1.186 . . . . 0.0 111.436 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.09 -38.89 75.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.763 0.825 . . . . 0.0 111.981 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.14 -18.65 49.12 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -108.04 9.41 28.45 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.771 1.228 . . . . 0.0 113.813 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -114.58 -43.9 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.565 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -18.99 61.49 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.649 1.113 . . . . 0.0 112.011 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.33 -32.56 74.03 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 112.917 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.07 -42.6 66.01 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.428 -0.795 . . . . 0.0 111.241 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.91 -46.72 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 118.793 -0.623 . . . . 0.0 110.113 168.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.13 -46.52 68.83 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.954 1.252 . . . . 0.0 112.628 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.22 -37.09 77.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -61.31 -40.6 94.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.635 1.174 . . . . 0.0 112.15 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.54 -38.73 71.02 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.267 -0.896 . . . . 0.0 111.116 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.72 -35.98 75.64 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.554 -0.716 . . . . 0.0 111.456 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -59.22 -47.17 86.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.284 1.034 . . . . 0.0 112.114 170.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -63.25 -42.31 99.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.512 1.051 . . . . 0.0 111.935 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.63 -37.92 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.635 1.174 . . . . 0.0 111.465 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.92 -48.24 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.48 1.036 . . . . 0.0 111.901 170.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -69.84 -40.4 75.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.167 0.587 . . . . 0.0 111.947 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.88 -41.93 75.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.619 1.567 . . . . 0.0 111.92 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.9 -45.3 82.5 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.4 m -59.11 -27.69 65.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.087 0.955 . . . . 0.0 113.431 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.75 -18.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 0.0 113.786 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 CA--C 1.548 0.904 0 C-N-CA 124.044 0.937 . . . . 0.0 111.879 173.576 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.256 0.55 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -31.29 72.08 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.367 0.667 . . . . 0.0 111.604 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.27 -38.71 87.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.895 1.278 . . . . 0.0 112.854 171.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.553 HD23 HD13 ' B' ' 17' ' ' LEU . 76.5 mt -67.07 -52.19 45.21 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.29 1.036 . . . . 0.0 111.02 176.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -44.82 -47.28 10.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 112.748 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -66.45 -43.26 86.04 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -71.52 -31.48 67.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.896 0.878 . . . . 0.0 112.684 172.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.2 -39.73 72.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.604 1.562 . . . . 0.0 111.911 163.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -78.25 -24.75 46.76 Favored 'General case' 0 C--N 1.342 0.283 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -61.37 -34.0 74.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.514 1.052 . . . . 0.0 112.061 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.38 78.36 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.845 0.748 . . . . 0.0 111.021 171.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.46 89.66 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.289 0.95 . . . . 0.0 112.772 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -42.74 88.65 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.097 0.959 . . . . 0.0 111.782 174.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 112.268 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.04 -34.8 73.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.26 1.424 . . . . 0.0 113.487 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.08 67.28 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 174.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -92.74 -37.02 12.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.266 1.426 . . . . 0.0 112.52 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.08 72.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.029 0.932 . . . . 0.0 112.299 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -62.7 -36.06 81.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -75.07 -37.8 61.48 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.347 -0.846 . . . . 0.0 112.342 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.92 -40.57 98.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.576 1.15 . . . . 0.0 112.453 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -65.08 0.72 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.679 1.192 . . . . 0.0 112.106 173.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 44.29 23.48 0.07 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.254 2.221 . . . . 0.0 115.468 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -130.73 132.59 24.03 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.083 1.753 . . . . 0.0 109.731 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.37 -25.27 42.25 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.77 2.313 . . . . 0.0 114.179 -164.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.18 -51.51 68.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.577 0.751 . . . . 0.0 111.456 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HE2' HD12 ' B' ' 51' ' ' ILE . 12.8 mmtp -63.53 -42.3 98.45 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.712 1.205 . . . . 0.0 111.557 171.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -63.96 -8.89 12.83 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -114.21 12.24 17.68 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.409 1.484 . . . . 0.0 113.386 170.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -120.08 -37.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.768 1.627 . . . . 0.0 111.612 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -19.9 48.49 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.935 1.243 . . . . 0.0 112.325 168.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -65.57 -40.6 92.96 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.052 -1.03 . . . . 0.0 112.594 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HE3' ' CE3' ' B' ' 47' ' ' TRP . 50.7 pttt -65.13 -32.16 73.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.415 HG23 ' CE1' ' B' ' 44' ' ' HIS . 76.9 mt -69.12 -47.33 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.834 168.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.33 -39.47 72.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.97 1.259 . . . . 0.0 113.235 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.6 -33.2 70.78 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.88 -41.25 91.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.93 -36.9 70.06 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.048 -1.032 . . . . 0.0 111.2 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.76 -35.32 79.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.442 -0.787 . . . . 0.0 111.761 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.28 98.46 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.621 -0.675 . . . . 0.0 111.981 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' B' ' 37' ' ' ILE . 54.1 m170 -61.68 -44.78 96.29 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.909 0.883 . . . . 0.0 111.466 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.89 -38.66 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.922 0.889 . . . . 0.0 112.114 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -46.31 85.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.14 1.336 . . . . 0.0 112.092 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 16.0 m0 -73.34 -41.3 63.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.789 -0.57 . . . . 0.0 111.896 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.95 -45.14 87.1 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.344 1.458 . . . . 0.0 111.551 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.27 -43.9 97.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.401 0.68 . . . . 0.0 111.972 172.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -60.59 -29.14 69.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.74 0.816 . . . . 0.0 113.189 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.2 -23.17 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.0 1.72 . . . . 0.0 113.501 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 125.64 1.576 . . . . 0.0 112.458 177.144 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -107.52 -39.53 5.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.933 2.093 . . . . 0.0 108.63 -167.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.39 -51.04 61.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.804 157.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.309 0.1 OUTLIER -62.7 -47.31 84.16 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -41.65 62.79 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.293 1.837 . . . . 0.0 112.392 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.87 -50.68 65.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -37.74 84.74 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 170.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.76 -35.07 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.72 1.208 . . . . 0.0 112.9 166.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -90.69 -24.05 20.55 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -68.54 -33.39 74.02 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.075 -1.015 . . . . 0.0 111.598 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.93 93.69 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.683 0.674 . . . . 0.0 110.297 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -62.76 -43.51 98.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -61.79 -40.83 96.58 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.476 -0.765 . . . . 0.0 112.334 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 7' ' ' LEU . 1.4 mt -60.21 -42.31 94.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 169.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.403 ' HB3' HD21 ' B' ' 38' ' ' LEU . 4.3 m-85 -65.53 -31.59 72.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.299 1.44 . . . . 0.0 113.324 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -58.67 -49.07 78.91 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 111.545 170.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -71.58 -40.96 69.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.29 0.636 . . . . 0.0 112.192 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -32.63 61.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.933 172.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -64.34 -33.37 75.7 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.604 1.093 . . . . 0.0 113.271 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -71.32 -40.04 71.02 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.046 -1.034 . . . . 0.0 112.354 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.3 93.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.336 0.655 . . . . 0.0 111.094 171.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.78 36.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.237 2.615 . . . . 0.0 113.836 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -55.96 -22.28 25.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.53 133.85 95.82 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.192 1.397 . . . . 0.0 111.31 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.5 -18.86 49.22 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.265 2.643 . . . . 0.0 114.542 -171.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.2 -58.87 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.069 0.85 . . . . 0.0 110.323 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -59.61 -42.33 92.38 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.372 1.069 . . . . 0.0 111.093 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -63.68 -4.22 2.88 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 18.6 m -118.9 9.31 11.92 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 113.433 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -113.74 -47.49 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.469 1.507 . . . . 0.0 110.21 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -19.84 60.96 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.469 1.032 . . . . 0.0 111.677 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.11 -32.38 73.48 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.372 -0.83 . . . . 0.0 112.841 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -70.0 -41.41 74.39 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.431 -0.793 . . . . 0.0 111.871 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.583 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.5 mt -61.91 -48.4 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.67 0.788 . . . . 0.0 109.581 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' B' ' 18' ' ' TYR . 17.5 mt -52.48 -45.37 66.13 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.606 1.094 . . . . 0.0 112.393 175.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.35 -40.0 77.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -62.09 -39.73 93.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 112.318 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 35.6 mm-40 -71.67 -38.48 70.63 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.607 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.07 -38.82 80.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.429 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -57.76 -46.61 84.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.66 1.184 . . . . 0.0 112.301 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.415 ' CE1' HG23 ' A' ' 37' ' ' ILE . 53.8 m170 -61.95 -42.03 98.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.155 0.982 . . . . 0.0 111.933 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -36.93 78.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.251 1.02 . . . . 0.0 111.602 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.21 -46.32 86.06 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.871 1.669 . . . . 0.0 112.045 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.531 ' CE3' ' HE3' ' A' ' 36' ' ' LYS . 18.8 m0 -72.35 -40.87 67.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.49 0.716 . . . . 0.0 111.823 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.86 -44.48 86.61 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.443 1.497 . . . . 0.0 112.18 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.44 -43.95 97.58 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.21 0.604 . . . . 0.0 111.77 170.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -61.23 -28.39 69.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HE2' ' A' ' 30' ' ' LYS . 32.6 mm -93.49 -21.22 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.563 1.545 . . . . 0.0 113.695 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 CA--C 1.55 0.965 0 C-N-CA 125.461 1.505 . . . . 0.0 112.271 177.642 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.61 -34.25 64.95 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.516 1.126 . . . . 0.0 111.939 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.7 -40.69 97.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.557 1.143 . . . . 0.0 111.334 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.12 -55.08 39.54 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.082 0.953 . . . . 0.0 111.399 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.44 84.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.092 2.557 . . . . 0.0 113.684 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -66.64 -54.11 26.85 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.494 -0.754 . . . . 0.0 112.838 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.33 -31.98 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.815 0.846 . . . . 0.0 113.043 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.585 ' OE1' ' OE2' ' B' ' 41' ' ' GLU . 2.1 mm-40 -57.68 -40.49 79.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.266 1.027 . . . . 0.0 112.9 165.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.82 -19.07 31.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -64.17 -37.79 88.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.221 -0.924 . . . . 0.0 111.601 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.79 95.07 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.216 0.462 . . . . 0.0 110.287 170.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.86 0.864 . . . . 0.0 113.219 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -63.2 -45.0 93.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.737 0.699 . . . . 0.0 111.61 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.924 HD22 HD11 ' B' ' 7' ' ' LEU . 1.1 mt -58.78 -45.79 89.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 172.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HD1' HD12 ' A' ' 34' ' ' LEU . 8.1 m-85 -59.32 -41.56 89.4 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.469 1.907 . . . . 0.0 112.887 177.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -64.86 -31.41 72.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.099 0.863 . . . . 0.0 112.827 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -87.36 -38.73 15.93 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.504 1.121 . . . . 0.0 112.313 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.93 75.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.823 0.849 . . . . 0.0 111.777 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -27.4 68.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.364 1.065 . . . . 0.0 113.625 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.27 -48.1 45.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.176 -0.953 . . . . 0.0 111.377 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -66.62 -46.5 75.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.369 0.668 . . . . 0.0 111.533 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.92 44.63 0.94 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.032 1.733 . . . . 0.0 112.608 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -15.55 27.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -63.85 132.94 95.4 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 126.457 1.903 . . . . 0.0 111.319 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.77 -18.14 57.66 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.627 2.885 . . . . 0.0 114.526 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.86 -29.34 69.47 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.181 0.901 . . . . 0.0 113.005 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.37 -36.39 5.8 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.055 1.742 . . . . 0.0 113.009 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -65.49 -3.99 5.2 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 m -116.85 12.83 14.88 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.996 1.319 . . . . 0.0 113.351 168.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' B' ' 51' ' ' ILE . 29.4 t -117.63 -50.38 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.937 1.695 . . . . 0.0 110.194 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' HD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -69.12 -19.2 64.04 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.259 0.936 . . . . 0.0 111.746 171.26 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -61.5 -34.82 76.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.059 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 0.1 OUTLIER -74.37 -41.11 61.56 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.193 0.997 . . . . 0.0 111.824 -177.211 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.42 HG13 ' CE3' ' B' ' 47' ' ' TRP . 78.6 mt -64.0 -45.17 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.373 0.669 . . . . 0.0 109.526 167.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 18' ' ' TYR . 17.3 mt -54.76 -39.79 68.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.086 1.312 . . . . 0.0 113.088 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.28 0.946 . . . . 0.0 112.399 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.78 -38.99 87.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 0.0 112.325 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.993 ' OE2' ' ND1' ' B' ' 44' ' ' HIS . 51.6 mm-40 -76.18 -38.3 56.76 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.922 -1.111 . . . . 0.0 111.323 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.64 -35.84 75.19 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.442 -0.786 . . . . 0.0 111.539 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -63.66 -39.78 95.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.9 0.88 . . . . 0.0 112.539 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.74 ' CE1' ' HB3' ' B' ' 40' ' ' ASP . 56.0 m170 -63.68 -48.23 78.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 119.513 1.052 . . . . 0.0 111.595 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.02 -37.4 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.389 0.675 . . . . 0.0 112.044 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.07 -49.02 74.98 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.521 1.055 . . . . 0.0 112.682 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CH2' ' HB3' ' B' ' 36' ' ' LYS . 33.2 m0 -72.22 -39.88 68.19 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.535 -0.728 . . . . 0.0 112.258 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.19 -28.22 51.48 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.822 1.649 . . . . 0.0 113.375 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -40.61 15.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.827 0.851 . . . . 0.0 110.534 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -57.29 -25.72 59.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 0.0 112.775 170.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.437 HD11 HG11 ' B' ' 33' ' ' VAL . 69.9 mt -94.1 -5.8 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 126.939 2.095 . . . . 0.0 112.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 126.179 1.792 . . . . 0.0 112.517 -169.128 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -59.35 -29.0 67.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.327 1.051 . . . . 0.0 113.042 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -71.3 -48.38 51.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.473 1.109 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 17' ' ' LEU . 9.9 mp -64.87 -47.4 77.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.237 1.415 . . . . 0.0 112.227 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -45.54 -37.2 5.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.968 2.507 . . . . 0.0 114.548 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.19 -55.38 12.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.85 -36.05 81.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.309 1.044 . . . . 0.0 112.261 171.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.29 -39.49 75.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.156 1.383 . . . . 0.0 111.839 170.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -85.95 -19.81 29.89 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.44 -34.68 78.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.015 0.825 . . . . 0.0 112.229 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -43.05 77.77 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 118.664 0.665 . . . . 0.0 110.31 171.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.01 -40.71 94.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.352 0.978 . . . . 0.0 112.67 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -64.06 -41.01 97.5 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.283 -0.886 . . . . 0.0 112.338 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.67 -44.36 96.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.134 0.574 . . . . 0.0 112.126 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' B' ' 38' ' ' LEU . 10.4 m-85 -63.96 -34.01 77.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.97 0.908 . . . . 0.0 112.942 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -39.78 27.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.805 0.73 . . . . 0.0 112.525 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.45 66.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.569 1.148 . . . . 0.0 112.082 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.1 t -60.91 -34.44 74.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.231 1.012 . . . . 0.0 112.912 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -72.11 -42.74 65.74 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.988 -1.07 . . . . 0.0 112.04 173.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -30.06 67.02 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.708 1.203 . . . . 0.0 113.339 169.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 39.04 3.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.581 1.952 . . . . 0.0 112.739 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -20.09 5.97 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.42 134.92 85.38 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.168 1.387 . . . . 0.0 111.917 171.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.45 -23.16 51.04 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.062 2.508 . . . . 0.0 114.381 -172.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.01 -56.03 25.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.615 0.766 . . . . 0.0 112.116 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -67.89 -37.23 81.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.616 0.767 . . . . 0.0 112.448 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -62.2 -2.58 1.01 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.3 t -122.18 19.7 10.67 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 112.942 168.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 51' ' ' ILE . 42.9 t -126.15 -47.87 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.672 1.989 . . . . 0.0 110.649 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -19.4 62.54 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.586 1.085 . . . . 0.0 111.255 169.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -67.95 -33.24 74.29 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 112.63 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.792 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 9.0 mmtp -68.55 -39.99 80.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.479 0.711 . . . . 0.0 112.632 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.446 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 70.4 mt -64.18 -48.56 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.179 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 18' ' ' TYR . 23.9 mt -53.26 -41.65 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.101 1.319 . . . . 0.0 113.005 176.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.29 -46.42 80.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.06 0.845 . . . . 0.0 113.23 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.74 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 26.5 m-20 -59.02 -41.88 88.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.54 1.136 . . . . 0.0 111.933 173.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.585 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.0 mm-40 -74.47 -39.07 62.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 111.016 -176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.63 -36.59 79.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.582 -0.699 . . . . 0.0 111.569 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -63.15 -42.86 99.54 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.309 0.644 . . . . 0.0 112.488 173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.993 ' ND1' ' OE2' ' A' ' 41' ' ' GLU . 52.5 m170 -60.38 -46.3 90.45 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.311 0.96 . . . . 0.0 111.602 174.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.94 -40.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.982 0.913 . . . . 0.0 110.946 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.86 -43.32 90.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.652 0.66 . . . . 0.0 112.044 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 1.42 ' CE3' HG13 ' A' ' 37' ' ' ILE . 24.8 m0 -72.83 -42.1 64.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.829 0.852 . . . . 0.0 111.958 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.59 -43.16 84.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.724 1.61 . . . . 0.0 112.237 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -40.18 77.04 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.592 0.757 . . . . 0.0 111.841 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.2 m -59.9 -29.82 68.61 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.515 -0.741 . . . . 0.0 112.9 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 41.7 mt -91.08 -12.16 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.75 2.02 . . . . 0.0 113.14 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 124.837 1.255 . . . . 0.0 112.161 174.389 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.915 0.388 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -56.6 -33.45 66.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.409 1.484 . . . . 0.0 112.975 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.02 -47.02 84.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.919 0.887 . . . . 0.0 112.22 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.21 -55.58 23.8 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 112.235 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.57 45.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.687 2.395 . . . . 0.0 112.596 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -67.11 -43.5 82.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.19 -35.78 78.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.766 0.826 . . . . 0.0 112.68 173.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -43.31 67.33 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.494 1.517 . . . . 0.0 112.124 164.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.85 -21.74 43.77 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.21 -35.58 81.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.924 1.238 . . . . 0.0 111.984 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.08 67.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.105 0.866 . . . . 0.0 110.734 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 tpt -57.4 -40.41 78.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.33 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -41.59 79.46 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.877 -1.139 . . . . 0.0 110.431 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.46 -42.96 97.27 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.423 0.689 . . . . 0.0 111.82 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 7.1 m-85 -59.71 -37.62 79.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.121 1.768 . . . . 0.0 113.858 173.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.14 -41.98 89.58 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.951 0.9 . . . . 0.0 112.673 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -94.9 -27.89 15.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.352 1.061 . . . . 0.0 113.591 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.02 70.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.692 1.197 . . . . 0.0 111.65 166.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -57.04 -31.56 65.28 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 169.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.58 -39.99 84.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.0 -1.062 . . . . 0.0 112.418 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -49.95 56.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.198 0.599 . . . . 0.0 110.816 171.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.63 34.92 0.06 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 128.211 2.605 . . . . 0.0 114.195 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -57.3 -23.76 50.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.086 1.754 . . . . 0.0 114.441 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.33 129.05 93.04 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.741 1.217 . . . . 0.0 110.552 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.35 -21.65 60.91 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.143 2.562 . . . . 0.0 114.187 -170.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.76 -46.79 80.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.967 0.803 . . . . 0.0 111.717 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -34.39 64.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.815 1.646 . . . . 0.0 112.165 171.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -59.33 -48.79 80.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.803 0.841 . . . . 0.0 110.819 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -77.64 7.96 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.39 -53.21 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.77 1.228 . . . . 0.0 110.395 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -68.15 -21.92 64.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.138 1.335 . . . . 0.0 112.606 174.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.86 -33.0 74.71 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.519 1.054 . . . . 0.0 113.257 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -68.08 -38.75 82.73 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.668 1.122 . . . . 0.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' A' ' 18' ' ' TYR . 82.8 mt -61.42 -52.46 60.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.29 165.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.328 0.2 OUTLIER -56.19 -35.24 67.04 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.16 1.8 . . . . 0.0 112.872 -178.28 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.1 -42.87 83.84 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.166 -0.959 . . . . 0.0 113.493 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -63.34 -36.68 84.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.021 1.328 . . . . 0.0 112.451 171.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -84.36 -33.37 23.85 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.162 0.985 . . . . 0.0 110.516 -165.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.85 -36.12 78.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.109 0.964 . . . . 0.0 112.219 164.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.9 -37.51 87.88 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.033 0.933 . . . . 0.0 112.964 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -60.74 -42.97 98.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.434 1.094 . . . . 0.0 112.139 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.81 -36.29 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.21 1.004 . . . . 0.0 111.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.84 -43.17 99.39 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.152 1.342 . . . . 0.0 112.688 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -69.96 -41.44 74.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.449 0.699 . . . . 0.0 111.771 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.26 -41.79 72.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.326 1.45 . . . . 0.0 111.405 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -63.53 -47.55 81.17 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.836 0.854 . . . . 0.0 112.467 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -57.43 -26.56 61.35 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.52 -10.74 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.236 1.814 . . . . 0.0 113.906 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.025 1.33 . . . . 0.0 111.794 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -57.51 -43.0 83.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.803 1.183 . . . . 0.0 111.216 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.32 -47.43 81.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.024 1.33 . . . . 0.0 112.573 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.41 -56.96 12.05 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.988 1.315 . . . . 0.0 111.198 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -45.06 68.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.736 2.014 . . . . 0.0 112.663 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -68.88 -39.13 79.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.8 -40.09 76.18 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.833 0.853 . . . . 0.0 112.414 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -38.6 56.19 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.434 1.494 . . . . 0.0 111.612 166.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -85.56 -26.41 26.18 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -69.07 -38.84 79.25 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.224 -0.922 . . . . 0.0 111.522 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.79 86.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.54 0.609 . . . . 0.0 110.592 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.0 tpt -63.87 -42.48 97.51 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.884 0.766 . . . . 0.0 112.369 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.59 -45.64 81.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.324 0.65 . . . . 0.0 111.643 168.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.26 -40.69 91.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.505 1.522 . . . . 0.0 113.829 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -59.67 -41.63 91.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.392 1.077 . . . . 0.0 112.56 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.32 -38.31 26.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.01 0.924 . . . . 0.0 112.987 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.2 65.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.658 -0.686 . . . . 0.0 112.029 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -59.29 -32.17 69.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.835 1.198 . . . . 0.0 113.14 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.12 -44.45 47.05 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.108 -0.995 . . . . 0.0 111.918 170.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -65.05 -27.86 69.08 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.593 1.157 . . . . 0.0 113.753 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.89 31.71 3.76 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.866 2.466 . . . . 0.0 112.58 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -13.58 3.78 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -169.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -58.7 127.25 82.19 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.376 1.07 . . . . 0.0 109.949 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.02 -26.39 73.84 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.797 2.332 . . . . 0.0 113.834 -171.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.0 -49.39 77.0 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.134 0.973 . . . . 0.0 112.261 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -81.18 -40.34 24.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.15 1.78 . . . . 0.0 112.533 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -58.31 -24.61 60.16 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -98.2 5.84 48.06 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.68 -46.93 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.22 1.408 . . . . 0.0 110.51 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.6 OUTLIER -68.76 -19.3 64.32 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.654 1.115 . . . . 0.0 112.752 172.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.74 -41.31 95.11 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.99 -35.67 78.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.32 0.963 . . . . 0.0 112.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.95 -51.36 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.441 169.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.292 0.3 OUTLIER -61.17 -35.03 76.02 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.671 1.123 . . . . 0.0 112.391 -177.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.18 -40.16 78.27 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.114 -0.991 . . . . 0.0 112.928 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.03 -38.12 87.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.293 1.037 . . . . 0.0 112.112 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -70.97 -38.92 72.79 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.186 -0.946 . . . . 0.0 111.321 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.26 -38.02 73.25 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.505 -0.747 . . . . 0.0 111.661 171.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -67.36 -39.06 85.69 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -62.58 -45.95 90.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 119.809 1.186 . . . . 0.0 111.373 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.96 -39.89 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 112.12 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -55.48 -49.01 73.64 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.693 1.133 . . . . 0.0 111.811 172.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -72.31 -37.79 68.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.944 0.498 . . . . 0.0 112.011 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.76 -44.32 81.67 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.816 1.646 . . . . 0.0 112.443 172.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.59 -43.64 96.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.137 0.575 . . . . 0.0 112.094 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -61.87 -30.59 70.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.256 1.022 . . . . 0.0 112.526 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -86.95 -13.64 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.054 1.741 . . . . 0.0 113.441 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 t30 . . . . . 0 CA--C 1.545 0.788 0 C-N-CA 125.389 1.475 . . . . 0.0 111.821 -178.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -70.38 -40.14 74.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.558 0.743 . . . . 0.0 111.53 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.93 -40.04 87.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.766 1.226 . . . . 0.0 111.245 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 0.1 OUTLIER -63.02 -56.15 19.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.387 1.875 . . . . 0.0 111.376 175.245 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -41.62 68.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.378 2.271 . . . . 0.0 112.771 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.33 -47.55 70.17 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.88 -37.71 85.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.72 0.808 . . . . 0.0 112.324 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -37.67 70.23 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.81 1.644 . . . . 0.0 113.466 168.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -86.08 -20.94 28.0 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.27 -31.32 72.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 118.385 -0.816 . . . . 0.0 112.538 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.77 64.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.943 1.247 . . . . 0.0 111.837 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 mtp -63.17 -42.27 99.36 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.634 1.106 . . . . 0.0 112.694 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -64.34 -40.99 96.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.708 0.803 . . . . 0.0 111.159 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.4 -45.32 94.83 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.593 1.157 . . . . 0.0 112.375 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.4 m-85 -61.46 -33.01 73.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.639 1.175 . . . . 0.0 113.279 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -39.99 73.9 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.149 1.38 . . . . 0.0 111.914 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -88.62 -37.83 15.31 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.734 1.214 . . . . 0.0 113.067 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -29.74 60.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.708 0.803 . . . . 0.0 112.253 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -57.79 -36.18 71.83 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.427 1.091 . . . . 0.0 113.093 170.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.2 -42.67 72.07 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.152 -0.968 . . . . 0.0 112.355 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -38.88 88.35 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 113.156 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.02 24.89 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.989 2.116 . . . . 0.0 114.29 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.81 1.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -68.48 131.43 91.62 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.927 1.691 . . . . 0.0 111.618 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.65 -28.78 77.07 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.257 2.638 . . . . 0.0 114.428 -167.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.76 -27.56 51.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.644 1.578 . . . . 0.0 114.449 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -31.77 5.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.636 1.975 . . . . 0.0 113.201 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.83 -29.54 62.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.888 0.875 . . . . 0.0 113.167 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -96.87 10.63 38.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.798 1.239 . . . . 0.0 114.076 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.08 -48.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.944 1.298 . . . . 0.0 110.21 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -22.48 64.86 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.498 1.044 . . . . 0.0 112.659 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.6 -33.46 75.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.035 0.934 . . . . 0.0 112.985 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -73.76 -37.09 65.14 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.438 -0.788 . . . . 0.0 112.351 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.42 -52.36 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 117.865 -1.064 . . . . 0.0 108.932 166.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 18' ' ' TYR . 19.2 mt -48.31 -42.18 30.31 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.138 1.335 . . . . 0.0 112.837 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.29 -39.16 82.18 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -68.51 -34.31 75.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.337 1.855 . . . . 0.0 113.134 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -39.11 23.34 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.436 1.894 . . . . 0.0 108.049 -169.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.81 -35.23 74.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 112.457 164.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -62.53 -42.48 99.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.52 -0.737 . . . . 0.0 111.847 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -61.64 -44.24 97.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.92 0.888 . . . . 0.0 111.364 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.15 -39.07 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 112.04 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.787 1.176 . . . . 0.0 112.802 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -72.3 -41.32 66.76 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.557 0.743 . . . . 0.0 111.468 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.53 -39.25 70.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.939 1.696 . . . . 0.0 112.307 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.92 -47.18 81.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.929 0.892 . . . . 0.0 112.048 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -17.88 64.28 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.4 mt -91.18 -13.97 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.52 1.928 . . . . 0.0 113.468 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 CA--C 1.553 1.061 0 C-N-CA 124.923 1.289 . . . . 0.0 113.842 -170.648 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -60.92 -33.95 73.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.964 1.256 . . . . 0.0 112.081 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.78 -48.58 66.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.303 1.441 . . . . 0.0 112.197 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.69 -51.16 36.97 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.609 1.564 . . . . 0.0 112.274 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -40.94 60.24 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.516 1.927 . . . . 0.0 112.314 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -60.56 -52.36 65.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.07 -36.34 81.81 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.838 0.855 . . . . 0.0 111.779 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.2 -34.77 61.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.015 164.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -93.24 -21.75 19.43 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.188 -0.945 . . . . 0.0 111.501 170.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.35 92.33 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.612 0.642 . . . . 0.0 110.369 169.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -60.43 -42.02 95.2 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.324 1.05 . . . . 0.0 112.841 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -40.47 86.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.385 -0.822 . . . . 0.0 112.838 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.88 -44.35 94.24 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 5.7 m-85 -59.42 -42.01 90.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.163 2.185 . . . . 0.0 113.589 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -59.74 -42.85 94.09 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.347 1.059 . . . . 0.0 112.329 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.73 -33.94 27.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.979 0.912 . . . . 0.0 112.806 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.76 71.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.241 1.016 . . . . 0.0 111.186 168.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -57.56 -32.71 67.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.266 1.026 . . . . 0.0 113.186 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.46 -44.74 70.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.284 -0.885 . . . . 0.0 112.249 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -65.78 -41.67 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.26 0.624 . . . . 0.0 112.3 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.62 28.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.789 2.436 . . . . 0.0 113.496 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -14.1 45.07 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.63 126.76 83.64 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.288 1.035 . . . . 0.0 109.754 167.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.33 -18.59 55.55 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.065 2.51 . . . . 0.0 114.229 -168.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -62.02 -56.28 20.6 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.351 0.978 . . . . 0.0 110.649 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -69.34 -40.72 77.38 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.349 1.46 . . . . 0.0 112.248 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -57.78 -20.83 38.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.742 1.217 . . . . 0.0 113.683 173.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -105.69 8.83 33.2 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.787 1.235 . . . . 0.0 113.967 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.1 t -114.31 -44.44 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.327 1.451 . . . . 0.0 110.811 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -17.37 62.48 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.868 1.213 . . . . 0.0 112.171 172.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -36.85 83.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.314 1.046 . . . . 0.0 113.255 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.16 -40.09 78.38 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.825 -0.547 . . . . 0.0 111.965 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.487 HG21 ' CZ ' ' B' ' 18' ' ' TYR . 65.3 mt -65.27 -46.5 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.79 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.86 -42.79 65.55 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.617 1.098 . . . . 0.0 112.491 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -69.86 -40.66 75.62 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.81 -39.63 89.68 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.539 1.135 . . . . 0.0 112.306 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -73.84 -37.35 64.85 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.026 -1.046 . . . . 0.0 111.322 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.61 -36.98 77.37 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.653 -0.654 . . . . 0.0 111.553 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -62.71 -43.72 98.08 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.87 0.868 . . . . 0.0 112.275 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -63.47 -46.26 87.0 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.4 1.0 . . . . 0.0 111.989 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.21 -39.64 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.829 0.852 . . . . 0.0 112.178 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.7 -43.97 90.18 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.865 1.211 . . . . 0.0 112.932 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -74.29 -39.27 63.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.52 0.728 . . . . 0.0 111.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.28 -41.23 72.0 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.336 1.454 . . . . 0.0 111.817 171.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.71 -46.81 80.74 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -21.46 66.75 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 29.2 mm -92.92 -18.48 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.856 1.662 . . . . 0.0 113.594 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 124.116 0.967 . . . . 0.0 111.907 176.414 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.96 -36.33 83.61 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.587 1.085 . . . . 0.0 111.227 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.04 -41.38 74.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.363 1.465 . . . . 0.0 112.051 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.649 HD23 HD13 ' B' ' 17' ' ' LEU . 69.5 mt -73.26 -53.38 11.02 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.793 0.837 . . . . 0.0 111.823 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.83 -40.69 10.16 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.434 2.294 . . . . 0.0 112.407 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -70.29 -50.5 38.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -30.78 71.62 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.89 -40.37 80.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.174 1.389 . . . . 0.0 111.039 164.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -75.82 -23.63 55.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.22 -33.68 76.37 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 111.855 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.63 84.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.535 167.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mmt -61.9 -41.28 97.71 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.553 1.069 . . . . 0.0 113.708 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.6 -38.68 87.5 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.526 -0.734 . . . . 0.0 111.659 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 7' ' ' LEU . 1.8 mt -60.74 -43.21 98.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 167.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.9 -32.53 74.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.69 1.596 . . . . 0.0 113.798 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -58.03 -44.84 87.59 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.651 1.114 . . . . 0.0 112.149 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.63 -37.16 50.68 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.01 65.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.254 1.022 . . . . 0.0 112.496 172.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -62.42 -35.74 80.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 112.97 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.95 -38.37 53.44 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.836 -1.165 . . . . 0.0 112.652 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -60.97 -34.83 75.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.062 0.945 . . . . 0.0 112.221 171.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.92 -66.53 0.56 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.546 1.139 . . . . 0.0 112.324 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 41.51 27.63 0.06 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.161 2.184 . . . . 0.0 115.153 -167.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -128.58 132.24 24.24 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.353 1.861 . . . . 0.0 110.398 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.35 -19.78 32.88 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.118 2.545 . . . . 0.0 114.461 -167.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.92 -55.92 12.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.548 1.067 . . . . 0.0 110.546 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HE2' HG12 ' B' ' 51' ' ' ILE . 5.0 tmtt? -61.99 -38.63 89.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.355 1.462 . . . . 0.0 111.794 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 36.0 tttt -64.44 -4.58 4.08 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -118.27 13.7 13.73 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.383 1.473 . . . . 0.0 113.168 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -114.92 -50.26 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.577 1.551 . . . . 0.0 110.151 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -69.17 -21.93 63.96 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.326 0.966 . . . . 0.0 112.038 174.244 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -66.16 -33.84 76.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.897 1.279 . . . . 0.0 112.287 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -75.6 -35.15 60.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.633 -0.667 . . . . 0.0 112.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.609 HG13 ' CE3' ' B' ' 47' ' ' TRP . 68.7 mt -61.26 -51.43 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.647 0.779 . . . . 0.0 109.5 163.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.98 -41.33 62.07 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.472 1.487 . . . . 0.0 112.942 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.86 -41.54 78.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -61.57 -39.55 91.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 112.305 171.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -77.24 -33.78 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 111.179 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.43 -36.91 79.31 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.096 -1.002 . . . . 0.0 111.767 167.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -60.33 -43.0 96.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.995 0.918 . . . . 0.0 111.969 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 49.7 m170 -62.58 -43.68 98.21 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 111.631 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.98 -40.71 81.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.243 1.017 . . . . 0.0 112.225 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.31 -43.41 88.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.908 1.231 . . . . 0.0 112.738 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.831 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 24.5 m0 -72.0 -42.08 66.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.582 0.753 . . . . 0.0 111.656 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.18 -43.23 78.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.632 1.573 . . . . 0.0 112.203 173.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.73 -40.93 88.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.682 0.793 . . . . 0.0 112.186 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -61.49 -31.49 71.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.811 0.844 . . . . 0.0 112.751 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -83.56 -19.38 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.533 1.533 . . . . 0.0 113.65 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.549 0.926 0 C-N-CA 124.454 1.101 . . . . 0.0 111.745 176.754 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -27.51 68.7 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.439 1.472 . . . . 0.0 113.619 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.88 -33.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.411 1.085 . . . . 0.0 113.507 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 17' ' ' LEU . 10.0 mt -77.02 -50.02 14.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.527 0.731 . . . . 0.0 109.885 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -44.17 44.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 128.96 2.904 . . . . 0.0 113.386 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -71.66 -45.32 62.33 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.5 -33.39 74.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.595 1.158 . . . . 0.0 113.269 168.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.93 -37.87 69.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.05 0.94 . . . . 0.0 112.508 163.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -83.28 -20.85 33.67 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.93 -36.07 82.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.574 1.079 . . . . 0.0 111.932 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.92 86.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.716 0.689 . . . . 0.0 110.373 171.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -39.02 93.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.157 0.983 . . . . 0.0 113.038 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -64.36 -42.05 96.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.258 1.423 . . . . 0.0 112.429 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.649 HD13 HD23 ' A' ' 7' ' ' LEU . 4.7 mt -57.99 -47.17 83.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.865 0.866 . . . . 0.0 111.176 169.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -64.03 -36.42 83.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.985 1.714 . . . . 0.0 114.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -55.19 -46.62 75.87 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.363 1.065 . . . . 0.0 112.453 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -82.54 -38.03 24.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.61 0.764 . . . . 0.0 112.604 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.86 -40.21 66.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.57 -29.05 64.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.678 1.126 . . . . 0.0 114.017 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.28 -50.4 16.19 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.052 1.296 . . . . 0.0 111.7 169.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -65.63 -19.53 65.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.752 1.221 . . . . 0.0 114.016 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.76 28.21 8.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.713 2.405 . . . . 0.0 112.843 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -19.7 1.34 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -59.45 130.02 87.32 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.963 1.705 . . . . 0.0 112.04 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.29 -27.07 41.17 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.847 2.365 . . . . 0.0 114.328 -165.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.25 -46.91 65.98 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.71 0.804 . . . . 0.0 112.639 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -81.67 -44.57 16.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.552 1.941 . . . . 0.0 111.384 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' CD2' ' B' ' 34' ' ' LEU . 66.1 tttt -60.89 -18.95 59.34 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -106.5 7.8 31.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.955 1.302 . . . . 0.0 114.381 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.98 -47.99 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.115 1.366 . . . . 0.0 110.432 171.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.8 OUTLIER -65.8 -24.02 66.83 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.564 1.075 . . . . 0.0 112.651 176.069 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -65.44 -35.66 81.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.851 0.86 . . . . 0.0 112.454 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.61 -42.1 82.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.831 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 85.8 mt -63.18 -47.43 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.933 0.893 . . . . 0.0 109.201 170.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.64 -40.05 71.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.772 1.169 . . . . 0.0 113.477 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.92 -31.4 70.27 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.599 1.091 . . . . 0.0 113.575 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.66 -38.53 70.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.686 1.195 . . . . 0.0 112.359 170.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.616 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 48.2 mm-40 -74.74 -37.84 62.4 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.866 -1.147 . . . . 0.0 111.129 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.12 -33.84 72.68 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.408 -0.807 . . . . 0.0 111.779 172.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.05 -43.36 87.69 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.74 0.816 . . . . 0.0 112.069 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.65 -41.46 94.99 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.131 0.972 . . . . 0.0 111.917 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.57 -42.2 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.293 1.037 . . . . 0.0 112.029 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.14 -41.1 96.11 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.285 -0.884 . . . . 0.0 112.942 174.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.609 ' CE3' HG13 ' A' ' 37' ' ' ILE . 41.8 m0 -73.12 -34.95 66.44 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.9 0.88 . . . . 0.0 111.417 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -47.94 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.544 1.137 . . . . 0.0 112.845 175.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -18.9 64.13 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.438 1.095 . . . . 0.0 113.654 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -90.49 -30.9 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.094 1.358 . . . . 0.0 111.232 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.527 HG12 ' HE2' ' A' ' 30' ' ' LYS . 51.5 mt -70.11 -30.57 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.652 1.581 . . . . 0.0 111.584 168.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.552 1.053 0 C-N-CA 124.312 1.045 . . . . 0.0 111.541 175.561 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -61.1 -32.97 72.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.847 1.659 . . . . 0.0 111.959 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.62 -55.35 35.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.278 1.831 . . . . 0.0 111.925 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.457 HD11 HD22 ' B' ' 17' ' ' LEU . 8.0 mp -68.52 -44.5 74.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.069 1.347 . . . . 0.0 112.893 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.09 -39.07 8.82 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.956 2.102 . . . . 0.0 112.498 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -64.59 -56.42 14.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.797 0.839 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.57 -33.49 76.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.873 0.869 . . . . 0.0 112.951 173.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.87 -41.56 70.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.64 1.176 . . . . 0.0 111.463 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -83.06 -19.25 37.21 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HB3' HD13 ' B' ' 10' ' ' LEU . 15.2 mm-40 -68.84 -36.47 78.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.408 1.004 . . . . 0.0 111.769 173.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.31 70.16 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.053 0.842 . . . . 0.0 110.748 170.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mmm -57.18 -45.81 83.37 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -69.58 -33.32 72.56 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.014 -1.054 . . . . 0.0 112.169 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' B' ' 6' ' ' GLU . 8.0 mt -62.0 -46.82 87.55 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.895 167.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 37' ' ' ILE . 4.3 m-85 -58.11 -37.41 74.52 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.818 1.647 . . . . 0.0 113.317 175.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -60.42 -24.09 64.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.203 1.801 . . . . 0.0 114.605 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -112.4 -35.38 5.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.256 1.423 . . . . 0.0 111.889 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.86 25.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.512 1.525 . . . . 0.0 112.986 163.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -57.24 -40.91 78.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.837 0.855 . . . . 0.0 113.006 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -76.08 -36.56 58.9 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.058 -1.026 . . . . 0.0 112.636 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.93 -35.47 80.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.369 1.067 . . . . 0.0 113.256 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.58 -63.98 0.99 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.426 1.09 . . . . 0.0 112.053 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 45.26 22.5 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.998 2.119 . . . . 0.0 115.608 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -125.55 132.43 24.31 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.65 1.58 . . . . 0.0 109.891 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.19 -22.35 34.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.788 2.325 . . . . 0.0 114.347 -161.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.83 -51.31 62.78 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.827 0.74 . . . . 0.0 111.132 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -42.42 97.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.341 1.056 . . . . 0.0 111.055 172.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.93 1.79 2.43 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m -126.72 22.11 6.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.184 1.794 . . . . 0.0 111.977 166.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.481 HG11 HD13 ' B' ' 51' ' ' ILE . 2.2 t -122.64 -55.66 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.016 2.126 . . . . 0.0 109.24 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -21.65 64.89 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.293 0.951 . . . . 0.0 110.958 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -65.87 -33.34 75.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.394 1.077 . . . . 0.0 112.723 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.64 -40.44 63.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.228 1.011 . . . . 0.0 111.772 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.489 HG21 ' CE2' ' A' ' 18' ' ' TYR . 2.4 mt -59.22 -52.53 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.142 164.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.65 -38.57 69.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.327 1.876 . . . . 0.0 113.237 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.27 -31.16 72.25 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.411 1.005 . . . . 0.0 113.526 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.23 -23.26 35.46 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 113.551 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -104.12 -23.86 13.24 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.478 -1.389 . . . . 0.0 108.568 -160.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -42.36 76.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.55 1.54 . . . . 0.0 112.902 149.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -62.79 -40.94 98.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.426 1.09 . . . . 0.0 112.355 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.597 ' CE1' HG23 ' B' ' 37' ' ' ILE . 61.9 m170 -63.86 -40.15 95.87 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.69 -39.29 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.02 0.928 . . . . 0.0 111.635 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.98 -44.63 94.37 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.655 1.116 . . . . 0.0 112.261 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.729 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 40.5 m0 -69.88 -42.86 72.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.603 0.761 . . . . 0.0 111.782 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -53.86 -42.29 68.4 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.695 1.598 . . . . 0.0 111.89 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.38 -38.96 88.71 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 m -64.99 -30.4 71.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.986 0.812 . . . . 0.0 112.18 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.56 -16.94 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.596 1.558 . . . . 0.0 113.53 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 CA--C 1.552 1.032 0 C-N-CA 125.409 1.484 . . . . 0.0 112.829 179.256 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.669 HD12 ' H ' ' B' ' 5' ' ' ARG 0.291 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 . . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.669 ' H ' HD12 ' B' ' 4' ' ' LEU . 26.6 mtt85 -57.32 -37.85 73.14 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.502 1.501 . . . . 0.0 112.179 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 17' ' ' LEU . 17.7 tt0 -57.14 -43.83 82.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.736 0.814 . . . . 0.0 112.43 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.42 -57.57 4.67 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.363 1.465 . . . . 0.0 112.165 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -44.88 62.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.92 2.088 . . . . 0.0 112.274 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -65.88 -44.35 85.63 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 13' ' ' GLN . 12.8 mt -68.06 -38.86 82.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.211 0.914 . . . . 0.0 113.286 171.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.01 -36.8 41.34 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.598 1.159 . . . . 0.0 111.315 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -84.82 -26.93 27.13 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.56 -35.47 79.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.894 1.224 . . . . 0.0 111.504 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.95 87.41 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.552 0.615 . . . . 0.0 110.753 168.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -38.67 88.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.112 0.869 . . . . 0.0 112.923 176.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -71.47 -39.47 70.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.568 0.747 . . . . 0.0 112.145 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.457 HD22 HD11 ' A' ' 7' ' ' LEU . 5.0 mt -58.01 -48.08 81.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.66 0.784 . . . . 0.0 111.646 167.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 9.2 m-85 -54.1 -42.19 69.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.497 . . . . 0.0 114.843 170.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -63.21 -42.01 99.23 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.079 1.309 . . . . 0.0 112.85 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.35 -39.56 65.11 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.087 0.47 . . . . 0.0 112.018 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.69 63.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.987 166.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -58.52 -29.46 66.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -76.42 -49.19 17.32 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.599 1.545 . . . . 0.0 110.909 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -63.52 -36.7 84.66 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.352 1.061 . . . . 0.0 112.585 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.34 33.41 1.78 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.916 2.486 . . . . 0.0 112.429 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -20.77 0.97 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.695 1.998 . . . . 0.0 115.995 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.04 136.11 96.6 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 126.054 1.742 . . . . 0.0 112.053 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.09 -22.12 62.21 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.144 2.563 . . . . 0.0 114.67 -170.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.17 -45.99 90.94 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.038 0.835 . . . . 0.0 112.937 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -81.94 -43.13 18.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.981 1.312 . . . . 0.0 111.39 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.22 -13.15 16.24 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -111.23 6.22 20.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.642 1.177 . . . . 0.0 114.031 172.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.95 -48.74 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.782 1.633 . . . . 0.0 109.989 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -21.49 61.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.189 0.904 . . . . 0.0 112.192 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -66.81 -36.76 83.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.11 0.868 . . . . 0.0 111.937 176.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -65.49 -41.74 92.94 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.81 1.244 . . . . 0.0 112.74 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.729 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 84.7 mt -62.13 -46.87 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.983 0.913 . . . . 0.0 109.731 167.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -39.74 49.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.526 1.057 . . . . 0.0 113.028 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.66 -39.73 66.9 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.47 -40.49 94.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 112.238 171.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -76.49 -34.63 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.41 -0.806 . . . . 0.0 111.054 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.87 -37.05 73.24 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.785 -0.572 . . . . 0.0 111.562 167.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -66.94 -39.79 87.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.598 0.759 . . . . 0.0 112.858 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.431 ' CD2' HG13 ' A' ' 37' ' ' ILE . 49.9 m170 -61.7 -52.73 63.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 119.468 1.031 . . . . 0.0 111.208 175.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mm -54.37 -41.52 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 126.258 1.823 . . . . 0.0 113.316 172.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.4 -46.27 76.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.929 1.241 . . . . 0.0 112.579 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -74.17 -43.83 55.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.326 0.65 . . . . 0.0 110.945 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.89 -40.41 56.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.074 1.35 . . . . 0.0 112.316 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -65.66 -47.21 76.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -15.65 62.77 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.481 HD13 HG11 ' A' ' 33' ' ' VAL . 6.1 mt -107.46 -12.26 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.706 2.002 . . . . 0.0 113.661 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 124.652 1.181 . . . . 0.0 111.685 168.022 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.45 -30.53 68.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.302 1.041 . . . . 0.0 112.133 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -65.16 -43.03 93.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.398 0.679 . . . . 0.0 111.317 171.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.94 -51.68 68.65 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.873 0.469 . . . . 0.0 111.595 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.21 -43.22 31.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.287 2.235 . . . . 0.0 112.435 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -65.02 -51.33 62.18 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.31 -35.18 79.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 171.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.73 -35.07 68.13 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.179 1.392 . . . . 0.0 112.321 166.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -85.06 -17.61 36.89 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.98 -35.29 80.19 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.409 -1.432 . . . . 0.0 111.672 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -28.56 67.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.516 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpt -77.41 -39.53 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.489 1.116 . . . . 0.0 111.043 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -60.42 -44.95 95.25 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.249 1.02 . . . . 0.0 112.114 168.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.82 -47.7 83.89 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.035 0.534 . . . . 0.0 111.95 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.88 -30.92 70.44 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -24.7 63.13 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 171.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.94 -35.68 7.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.834 1.254 . . . . 0.0 112.565 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.89 73.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.246 0.619 . . . . 0.0 111.605 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 t -58.37 -34.82 71.11 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 114.082 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.04 -45.25 70.9 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.122 -0.986 . . . . 0.0 111.555 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.79 -39.08 90.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.23 0.612 . . . . 0.0 112.009 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 33.63 0.19 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.257 2.223 . . . . 0.0 113.559 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -18.3 47.06 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.343 -1.473 . . . . 0.0 113.774 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.45 126.35 90.41 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.228 1.411 . . . . 0.0 110.714 171.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.9 -17.8 46.73 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 114.356 -170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -65.33 -54.93 21.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.052 0.842 . . . . 0.0 110.483 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.36 90.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.018 1.327 . . . . 0.0 111.924 172.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.26 4.42 0.96 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -121.89 9.68 10.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.466 1.506 . . . . 0.0 112.965 165.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 51' ' ' ILE . 68.5 t -110.79 -53.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.018 1.727 . . . . 0.0 110.267 174.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -21.52 66.01 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.488 1.04 . . . . 0.0 111.797 172.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.92 -33.21 74.25 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.264 -0.897 . . . . 0.0 112.499 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -71.43 -40.61 70.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.168 0.987 . . . . 0.0 111.989 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.08 -55.73 16.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 118.107 -0.949 . . . . 0.0 108.603 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.73 -31.65 68.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.442 1.473 . . . . 0.0 114.652 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.32 -39.25 74.87 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.788 1.176 . . . . 0.0 112.959 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.91 -36.26 83.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.234 1.414 . . . . 0.0 112.249 168.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -81.0 -34.56 32.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.71 1.204 . . . . 0.0 111.451 -167.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.4 -35.45 77.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.361 1.065 . . . . 0.0 111.745 163.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -61.96 -37.24 84.0 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.236 -0.915 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 54.5 m170 -62.56 -43.07 99.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.473 1.109 . . . . 0.0 112.127 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.06 -41.7 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.764 1.226 . . . . 0.0 112.136 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.65 -41.77 86.81 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.244 0.929 . . . . 0.0 112.327 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CE3' HG13 ' B' ' 37' ' ' ILE . 26.3 m0 -73.59 -42.89 60.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.57 0.748 . . . . 0.0 111.683 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.0 -40.48 70.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.289 1.436 . . . . 0.0 112.046 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -70.65 -43.64 68.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -23.66 66.72 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.96 -15.73 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.029 1.731 . . . . 0.0 113.333 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 123.773 0.829 . . . . 0.0 112.452 172.826 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.954 -0.546 . . . . 0.0 112.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -65.83 -36.32 83.13 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.362 0.983 . . . . 0.0 112.246 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.72 -38.39 84.92 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.329 1.052 . . . . 0.0 112.681 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.47 -53.43 28.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 111.078 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -41.9 91.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 128.103 2.561 . . . . 0.0 113.183 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -63.48 -52.67 60.36 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.56 -36.81 79.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.923 0.889 . . . . 0.0 112.992 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.47 -32.95 70.72 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.568 1.147 . . . . 0.0 113.741 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.42 -16.69 24.3 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.969 1.713 . . . . 0.0 115.263 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.74 -39.48 70.03 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 111.158 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.88 84.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ttm -64.6 -44.21 91.32 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.09 -41.02 97.77 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.35 -0.844 . . . . 0.0 112.071 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.77 -46.61 77.88 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 168.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.25 -36.13 81.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.168 1.787 . . . . 0.0 113.916 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -61.54 -45.15 95.39 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.821 1.191 . . . . 0.0 112.903 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.33 -36.44 53.88 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.709 -0.619 . . . . 0.0 112.384 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.94 -38.75 65.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.797 0.839 . . . . 0.0 111.608 166.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -57.8 -33.06 68.16 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -67.82 -37.51 82.04 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.992 -1.068 . . . . 0.0 112.465 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -70.2 -46.79 63.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.523 1.129 . . . . 0.0 111.581 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 22.38 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.975 2.51 . . . . 0.0 114.73 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -27.37 1.08 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.349 2.659 . . . . 0.0 115.265 170.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -69.79 127.19 92.7 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.406 1.082 . . . . 0.0 109.81 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.46 -26.41 62.72 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.782 2.321 . . . . 0.0 114.093 -162.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.02 -50.72 71.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.496 1.118 . . . . 0.0 112.712 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.14 63.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.687 1.195 . . . . 0.0 111.957 172.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.27 -33.23 65.27 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.212 0.915 . . . . 0.0 113.18 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -89.84 2.84 54.48 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.26 -50.17 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.053 1.341 . . . . 0.0 110.219 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -70.69 -19.9 62.73 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.703 1.138 . . . . 0.0 112.607 175.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.93 -34.56 77.73 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.314 0.961 . . . . 0.0 112.788 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.95 -44.48 92.69 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.131 -0.981 . . . . 0.0 112.036 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.632 HG13 ' CE3' ' A' ' 47' ' ' TRP . 73.8 mt -63.38 -47.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.076 172.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.83 -42.47 65.18 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.097 1.317 . . . . 0.0 113.11 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.61 -37.07 65.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.823 1.192 . . . . 0.0 113.443 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.26 -42.35 99.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.659 1.184 . . . . 0.0 112.199 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.503 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 32.0 mm-40 -73.36 -37.3 66.11 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.422 -0.799 . . . . 0.0 110.134 -177.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.27 -37.65 78.18 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.968 -1.082 . . . . 0.0 111.583 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -61.29 -43.05 99.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.1 0.96 . . . . 0.0 112.135 172.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.15 -43.74 98.16 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 119.281 0.946 . . . . 0.0 111.501 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.02 -42.24 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.533 1.133 . . . . 0.0 111.753 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -54.61 -45.29 73.66 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.077 0.853 . . . . 0.0 112.102 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -76.24 -38.45 56.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.619 0.768 . . . . 0.0 112.307 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.85 -43.68 77.31 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.358 1.463 . . . . 0.0 112.361 173.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.61 -27.01 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -83.16 -26.57 30.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 111.493 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.4 HD11 HG11 ' A' ' 33' ' ' VAL . 1.6 mp -86.57 -22.14 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 125.474 1.51 . . . . 0.0 112.268 172.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.551 1.001 0 C-N-CA 125.396 1.478 . . . . 0.0 111.985 170.727 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -62.48 -41.58 98.89 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.107 1.363 . . . . 0.0 111.35 170.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.97 -38.9 90.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.602 1.161 . . . . 0.0 112.326 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 81.9 mt -65.85 -52.37 50.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.837 0.855 . . . . 0.0 111.608 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.21 -41.23 49.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.148 2.179 . . . . 0.0 112.967 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -63.17 -58.23 7.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.623 HD13 ' CD1' ' B' ' 17' ' ' LEU . 4.9 mp -59.75 -34.18 72.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.79 -37.68 74.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.118 1.367 . . . . 0.0 113.191 167.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -87.45 -11.7 48.28 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -72.39 -34.66 68.07 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 120.72 -1.237 . . . . 0.0 110.755 174.113 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.23 91.97 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.235 167.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -60.92 -46.05 92.2 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.638 1.108 . . . . 0.0 113.441 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.93 -40.58 98.08 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.428 -0.795 . . . . 0.0 112.355 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' B' ' 10' ' ' LEU . 4.6 mt -61.25 -46.72 89.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.511 0.724 . . . . 0.0 112.304 171.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.01 -32.09 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.185 1.794 . . . . 0.0 113.308 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -61.91 -15.44 43.01 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.86 -40.82 3.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.15 1.38 . . . . 0.0 112.281 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -35.34 65.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.429 0.692 . . . . 0.0 112.121 168.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -61.08 -33.31 73.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.429 1.092 . . . . 0.0 113.466 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.97 -46.14 62.86 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.222 -0.924 . . . . 0.0 111.674 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -65.32 -40.65 94.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.797 0.839 . . . . 0.0 112.548 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.54 30.74 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.247 1.819 . . . . 0.0 113.891 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -13.96 16.43 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.2 130.74 94.88 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.918 1.287 . . . . 0.0 110.743 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.68 -23.21 69.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.232 2.621 . . . . 0.0 114.462 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.98 -27.26 68.73 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.852 1.261 . . . . 0.0 113.749 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -117.95 -29.64 5.59 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.272 1.829 . . . . 0.0 113.464 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.06 -26.8 60.97 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.542 1.137 . . . . 0.0 113.619 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m -99.43 6.25 46.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.762 1.225 . . . . 0.0 114.044 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.56 -45.39 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.911 1.285 . . . . 0.0 110.35 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.65 -22.01 65.33 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.598 1.09 . . . . 0.0 112.069 172.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.51 -31.3 72.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.813 0.845 . . . . 0.0 112.773 172.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.83 -38.54 64.49 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 112.241 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.06 -50.56 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.403 163.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.77 -39.99 65.87 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.334 1.425 . . . . 0.0 113.329 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.67 -40.07 80.3 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.15 -40.04 94.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.615 1.166 . . . . 0.0 112.083 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.96 -35.22 64.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.32 -38.59 80.66 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 111.827 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -66.48 -37.96 86.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.275 0.63 . . . . 0.0 112.612 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 53.6 m170 -62.41 -45.04 94.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.309 -0.87 . . . . 0.0 111.578 172.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.37 -38.82 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.162 0.985 . . . . 0.0 112.175 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.59 -47.96 75.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.85 1.204 . . . . 0.0 112.026 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -72.57 -42.02 65.06 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.054 -0.404 . . . . 0.0 111.812 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.95 -42.18 72.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.2 1.4 . . . . 0.0 112.009 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.82 -48.45 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.59 0.756 . . . . 0.0 112.632 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -56.29 -31.35 63.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.843 1.257 . . . . 0.0 113.227 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.8 mm -86.18 -15.6 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.787 1.635 . . . . 0.0 113.524 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t30 . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 125.805 1.642 . . . . 0.0 111.783 -176.804 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -35.99 41.85 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.462 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.0 tp10 -52.98 -40.03 63.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.043 2.137 . . . . 0.0 112.79 168.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.53 -62.08 1.9 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.012 0.925 . . . . 0.0 110.892 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.27 -43.3 70.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.39 2.276 . . . . 0.0 112.571 -173.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.18 -49.09 75.66 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 17' ' ' LEU . 17.5 mt -68.7 -35.27 76.95 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.611 0.641 . . . . 0.0 112.132 176.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.11 -38.86 68.7 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.652 1.581 . . . . 0.0 112.422 165.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -85.51 -29.57 24.13 Favored 'General case' 0 C--N 1.344 0.369 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -65.67 -34.91 79.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.614 -0.679 . . . . 0.0 111.822 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.451 0.569 . . . . 0.0 110.197 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 26.4 mmm -62.88 -41.16 99.31 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -64.3 -40.42 95.91 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 10' ' ' LEU . 5.2 mt -58.46 -41.89 86.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.907 0.883 . . . . 0.0 112.228 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.45 -34.72 76.47 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 112.593 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -59.79 -46.91 87.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.657 1.183 . . . . 0.0 112.2 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.16 -40.93 51.34 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -30.55 61.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.445 0.698 . . . . 0.0 112.064 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 t -67.32 -28.29 67.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.368 0.985 . . . . 0.0 113.566 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -74.65 -43.28 56.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.288 -1.508 . . . . 0.0 111.644 165.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -68.14 -19.61 64.83 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.52 36.4 3.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.338 2.655 . . . . 0.0 111.617 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -52.35 -22.72 4.87 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -52.16 128.97 40.21 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.632 2.373 . . . . 0.0 111.798 171.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -65.89 -22.39 56.12 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.655 2.237 . . . . 0.0 113.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.68 75.76 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 112.481 173.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.33 -36.87 9.85 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 113.122 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -66.05 3.84 0.78 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.94 1.696 . . . . 0.0 115.063 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.3 m -124.86 13.35 8.52 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.916 1.687 . . . . 0.0 113.498 167.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -115.5 -49.69 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.695 1.598 . . . . 0.0 109.969 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -21.5 61.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.557 1.071 . . . . 0.0 112.299 174.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -61.1 -32.84 72.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.802 1.241 . . . . 0.0 112.301 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.26 -40.0 62.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.597 -0.689 . . . . 0.0 112.113 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.1 -52.87 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.186 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.296 0.6 OUTLIER -61.55 -30.67 70.8 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.058 1.299 . . . . 0.0 112.898 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.2 -40.86 70.92 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.039 -1.038 . . . . 0.0 113.268 172.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -61.67 -38.75 88.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.822 1.249 . . . . 0.0 112.287 171.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.407 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 53.3 mm-40 -75.09 -37.84 61.41 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.142 -0.974 . . . . 0.0 111.351 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.44 -36.83 69.44 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.321 -0.862 . . . . 0.0 111.455 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.819 0.848 . . . . 0.0 112.265 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -62.72 -38.07 89.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.116 0.966 . . . . 0.0 112.888 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.98 -42.35 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.098 0.959 . . . . 0.0 111.027 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -61.33 -42.05 98.03 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.641 -0.662 . . . . 0.0 112.221 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -70.32 -36.97 74.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.874 0.869 . . . . 0.0 111.921 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -47.64 84.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.06 1.344 . . . . 0.0 111.732 173.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.81 -42.37 97.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.198 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -35.73 75.94 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.73 -14.34 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.953 1.701 . . . . 0.0 112.89 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 CA--C 1.553 1.075 0 C-N-CA 126.158 1.783 . . . . 0.0 112.718 -176.357 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.537 0.481 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -31.14 68.75 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.651 1.18 . . . . 0.0 111.071 176.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.69 -40.64 95.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.536 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 HD13 ' B' ' 17' ' ' LEU . 49.6 mt -65.23 -50.08 67.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.859 0.864 . . . . 0.0 111.76 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.42 -40.84 12.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.217 2.607 . . . . 0.0 113.475 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.26 -53.92 25.62 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.01 -36.16 76.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.742 0.817 . . . . 0.0 112.574 170.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.51 -38.54 77.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 0.0 112.93 170.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -85.44 -23.31 27.93 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -62.48 -31.22 71.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.599 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.79 -46.88 62.05 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 119.067 0.849 . . . . 0.0 110.506 171.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.3 mmm -54.59 -43.39 72.08 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.638 1.108 . . . . 0.0 112.704 174.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.81 -38.06 76.47 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.709 -0.62 . . . . 0.0 111.937 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 3.6 mt -62.95 -38.99 93.28 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.387 0.675 . . . . 0.0 112.002 169.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -64.76 -35.68 81.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.802 1.641 . . . . 0.0 112.803 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -62.37 -42.58 99.53 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.864 0.865 . . . . 0.0 112.845 171.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.91 -43.2 36.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.966 0.906 . . . . 0.0 112.84 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.74 67.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.135 0.974 . . . . 0.0 111.648 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -63.82 -34.48 78.0 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.29 0.95 . . . . 0.0 112.834 173.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.15 -43.71 73.74 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.202 -0.937 . . . . 0.0 111.385 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -65.76 -18.98 65.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.371 1.468 . . . . 0.0 114.504 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.02 36.91 4.51 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.137 2.175 . . . . 0.0 111.959 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -50.95 -21.42 1.74 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.06 130.71 92.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.267 1.827 . . . . 0.0 111.352 173.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -63.19 -23.61 72.78 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.911 2.407 . . . . 0.0 114.027 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.54 -24.27 55.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.966 2.106 . . . . 0.0 113.965 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -36.62 3.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 113.23 170.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.93 -16.44 29.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -107.53 9.89 29.41 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.499 1.12 . . . . 0.0 113.917 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -115.76 -46.54 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.489 1.516 . . . . 0.0 110.451 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -18.91 62.39 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.242 0.928 . . . . 0.0 111.44 171.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.07 -36.71 83.93 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.411 -0.806 . . . . 0.0 112.318 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -72.09 -31.83 66.44 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.081 -1.012 . . . . 0.0 112.234 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.8 -56.82 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 117.388 -1.292 . . . . 0.0 109.272 163.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.326 1.0 OUTLIER -60.99 -24.79 66.4 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 121.469 1.94 . . . . 0.0 113.35 -175.028 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.71 -36.73 42.97 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB3' ' CE1' ' B' ' 44' ' ' HIS . 38.1 m-20 -62.19 -40.9 97.6 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.382 1.473 . . . . 0.0 111.907 165.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -82.9 -33.09 26.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.892 -166.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.53 -31.17 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.561 1.144 . . . . 0.0 112.622 163.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -38.47 89.13 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.916 0.78 . . . . 0.0 111.947 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.743 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 46.8 m170 -61.17 -37.83 84.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.298 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.23 -37.72 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.87 0.868 . . . . 0.0 110.835 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.93 -42.86 94.86 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.658 1.117 . . . . 0.0 112.129 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 20.3 m0 -70.96 -45.04 64.82 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.366 0.666 . . . . 0.0 111.446 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.5 -40.88 68.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.193 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.97 -44.39 76.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.658 0.783 . . . . 0.0 112.833 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -20.41 66.24 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.7 mt -93.09 -18.4 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.251 1.82 . . . . 0.0 113.042 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.976 1.31 . . . . 0.0 112.028 170.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -67.16 -28.99 68.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.913 0.885 . . . . 0.0 111.864 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.381 1.472 . . . . 0.0 112.494 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 96.1 mt -58.74 -56.05 27.22 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.825 1.25 . . . . 0.0 111.514 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -46.31 60.57 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.85 2.46 . . . . 0.0 112.506 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.62 -44.59 93.47 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -66.87 -38.33 86.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.89 0.768 . . . . 0.0 112.472 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -28.04 58.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.464 1.505 . . . . 0.0 113.123 167.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -95.64 -20.31 19.05 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.26 -34.46 77.48 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.837 -1.165 . . . . 0.0 112.227 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.2 98.69 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.643 0.656 . . . . 0.0 110.138 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -62.67 -42.09 99.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.865 0.866 . . . . 0.0 112.948 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.74 -40.24 91.93 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.709 -0.619 . . . . 0.0 112.385 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.759 HD13 HD23 ' A' ' 7' ' ' LEU . 1.2 mt -56.63 -44.87 81.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 168.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.43 -39.74 95.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.912 1.685 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -37.04 76.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.12 0.568 . . . . 0.0 111.843 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -83.3 -34.31 25.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.124 0.97 . . . . 0.0 113.248 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.78 67.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.625 0.77 . . . . 0.0 112.428 170.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -58.65 -32.31 68.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.8 -37.12 35.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.355 1.062 . . . . 0.0 112.249 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -60.94 -37.63 83.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.368 0.667 . . . . 0.0 112.461 169.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.32 -66.09 0.59 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.743 1.217 . . . . 0.0 111.901 170.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 43.31 25.71 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.864 2.066 . . . . 0.0 114.934 -170.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -133.32 137.81 30.04 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.394 1.878 . . . . 0.0 109.901 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.01 -24.6 45.2 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.891 2.394 . . . . 0.0 114.065 -170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -67.46 -52.07 43.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.642 0.656 . . . . 0.0 110.67 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -67.35 -42.69 83.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.049 . . . . 0.0 112.284 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.37 -33.38 63.37 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.15 10.04 35.43 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.94 -44.47 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.36 1.464 . . . . 0.0 111.078 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.97 66.27 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.922 1.237 . . . . 0.0 111.743 169.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.67 -35.4 70.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.081 1.31 . . . . 0.0 113.309 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.87 -42.46 63.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.714 0.806 . . . . 0.0 112.399 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.756 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 67.7 mt -60.78 -44.28 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.233 1.013 . . . . 0.0 110.371 168.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.87 -39.86 90.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.52 1.055 . . . . 0.0 112.471 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.96 -37.92 79.1 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.312 0.96 . . . . 0.0 112.579 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.14 -39.98 95.18 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.685 1.194 . . . . 0.0 112.365 169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.743 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 12.5 mm-40 -71.33 -36.98 71.75 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.07 -41.24 87.49 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.078 -1.014 . . . . 0.0 111.834 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -59.96 -43.22 95.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.613 0.765 . . . . 0.0 111.623 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 40' ' ' ASP . 55.6 m170 -63.4 -46.8 84.74 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.105 0.962 . . . . 0.0 112.208 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.28 -41.58 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 111.982 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.28 -44.5 92.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.23 0.923 . . . . 0.0 112.364 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -71.98 -36.38 69.78 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.621 0.768 . . . . 0.0 112.026 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -49.19 75.2 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.607 1.163 . . . . 0.0 111.558 170.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.66 -42.74 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -60.75 -34.23 74.12 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -77.44 -24.42 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.467 1.507 . . . . 0.0 112.878 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 CA--C 1.552 1.054 0 C-N-CA 126.39 1.876 . . . . 0.0 112.119 177.656 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.96 -35.89 80.98 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.09 0.956 . . . . 0.0 111.92 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.01 -36.58 81.97 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.158 1.783 . . . . 0.0 111.965 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.767 ' CD2' HD22 ' B' ' 17' ' ' LEU . 30.0 mt -73.33 -51.78 16.23 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.41 1.084 . . . . 0.0 111.489 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -41.5 67.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.622 2.369 . . . . 0.0 113.271 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.42 -49.73 68.1 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.538 HD22 HD23 ' B' ' 10' ' ' LEU . 45.8 mt -61.28 -39.57 90.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.629 0.772 . . . . 0.0 111.859 171.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.85 -36.18 67.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.223 1.409 . . . . 0.0 113.18 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.75 -22.78 22.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.45 -34.75 78.91 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.356 -0.84 . . . . 0.0 112.072 171.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.52 -39.99 80.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.889 0.768 . . . . 0.0 110.629 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmt -62.59 -39.7 94.56 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.455 1.025 . . . . 0.0 113.471 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -68.78 -38.74 80.24 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.479 -0.763 . . . . 0.0 111.922 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.53 -42.1 95.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.891 0.876 . . . . 0.0 112.434 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.548 1.539 . . . . 0.0 113.829 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtt85 -60.15 -40.32 89.45 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.915 1.234 . . . . 0.0 113.29 170.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -79.82 -42.62 23.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.742 0.817 . . . . 0.0 112.098 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.79 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.34 0.656 . . . . 0.0 112.272 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -64.96 -34.21 77.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 0.0 113.113 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.22 -40.54 82.04 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.302 -0.874 . . . . 0.0 111.637 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.69 -46.03 70.08 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.135 1.374 . . . . 0.0 112.403 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.08 29.67 0.17 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.312 2.245 . . . . 0.0 114.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -11.63 19.07 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.24 127.17 90.66 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.569 1.548 . . . . 0.0 110.41 169.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.6 -30.96 70.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.763 2.309 . . . . 0.0 113.873 -164.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.66 -47.44 76.67 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.331 1.052 . . . . 0.0 112.632 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -83.01 -36.14 25.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.696 1.599 . . . . 0.0 112.596 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -54.06 -27.67 33.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.578 1.151 . . . . 0.0 114.025 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -98.75 6.76 46.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 114.704 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.47 -46.52 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.337 1.455 . . . . 0.0 110.79 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -20.19 66.0 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.1 1.318 . . . . 0.0 112.259 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.98 -35.93 81.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.101 1.361 . . . . 0.0 113.332 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -73.41 -35.1 65.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.42 -0.8 . . . . 0.0 112.132 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.81 -50.25 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.413 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.88 -40.5 60.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.335 1.425 . . . . 0.0 113.224 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.78 -38.48 67.26 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.45 -41.01 98.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.565 1.146 . . . . 0.0 112.044 171.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 50.8 mm-40 -72.78 -35.03 67.31 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.719 -0.613 . . . . 0.0 110.31 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.75 -40.09 78.89 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.191 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -64.9 -40.39 95.01 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.687 -0.633 . . . . 0.0 112.231 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.668 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 44.7 m170 -61.99 -43.54 98.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.179 0.9 . . . . 0.0 111.59 172.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 124.498 1.119 . . . . 0.0 111.522 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.76 -48.69 77.27 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.544 1.065 . . . . 0.0 111.874 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.975 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 28.7 m0 -70.45 -40.03 73.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.337 0.655 . . . . 0.0 111.093 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -50.22 69.25 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.216 1.407 . . . . 0.0 112.014 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.54 -37.5 87.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.185 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -64.73 -30.78 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HE3' ' B' ' 30' ' ' LYS . 51.8 mt -77.65 -24.75 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.069 1.747 . . . . 0.0 112.626 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.8 t30 . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 124.326 1.051 . . . . 0.0 112.466 172.877 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 118.843 -0.599 . . . . 0.0 112.257 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -61.15 -33.04 72.77 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.507 1.049 . . . . 0.0 112.733 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.13 -52.0 62.48 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.807 1.243 . . . . 0.0 111.542 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.79 -55.4 23.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.687 1.595 . . . . 0.0 112.619 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -41.9 51.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.785 2.034 . . . . 0.0 112.229 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -63.08 -52.13 63.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.538 HD23 HD22 ' A' ' 10' ' ' LEU . 16.2 mt -65.05 -35.17 80.31 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.272 0.942 . . . . 0.0 112.617 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 4.0 mm-40 -55.22 -42.13 72.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.541 1.536 . . . . 0.0 112.073 166.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -84.71 -23.62 29.26 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.63 -35.39 78.83 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.292 -0.88 . . . . 0.0 111.627 172.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.43 85.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.589 0.631 . . . . 0.0 110.185 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp -59.93 -41.36 91.64 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.712 0.805 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -66.33 -41.69 89.25 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.62 0.768 . . . . 0.0 111.24 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.767 HD22 ' CD2' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.65 -47.66 83.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.863 0.465 . . . . 0.0 112.136 168.751 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.39 -40.54 94.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.907 1.683 . . . . 0.0 113.246 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -64.6 -44.31 90.99 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.141 0.882 . . . . 0.0 112.563 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -76.19 -38.1 56.98 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.123 0.569 . . . . 0.0 111.834 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.13 -42.33 72.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.56 0.744 . . . . 0.0 111.362 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -64.26 -26.25 68.41 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.98 -46.46 57.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.836 -1.165 . . . . 0.0 111.898 173.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -72.56 -46.67 53.29 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.259 1.024 . . . . 0.0 112.214 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 36.82 0.3 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.029 2.131 . . . . 0.0 112.608 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -12.2 8.73 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -173.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.4 133.7 95.75 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.424 1.49 . . . . 0.0 110.817 171.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -68.03 -17.29 45.99 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.389 2.726 . . . . 0.0 114.668 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.72 -20.59 66.0 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.864 0.84 . . . . 0.0 112.284 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HE3' HD13 ' A' ' 51' ' ' ILE . 9.1 tptm -116.57 -45.97 2.78 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.948 2.099 . . . . 0.0 112.793 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -51.73 -39.77 59.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -87.96 7.02 33.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.73 -49.63 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.261 1.424 . . . . 0.0 110.285 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -70.43 -18.14 63.01 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.416 1.007 . . . . 0.0 112.449 174.522 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.54 -35.65 80.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.209 -0.932 . . . . 0.0 113.206 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.31 -40.92 94.37 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.051 -1.031 . . . . 0.0 112.143 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.975 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 65.3 mt -62.85 -47.92 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.5 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.02 -44.36 60.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.395 1.452 . . . . 0.0 112.923 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.46 -38.12 71.29 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -65.9 -37.55 86.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.681 1.192 . . . . 0.0 112.586 174.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.668 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 54.6 mm-40 -74.93 -35.95 62.17 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.264 -0.897 . . . . 0.0 110.709 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.14 -37.64 75.03 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.378 -0.826 . . . . 0.0 111.723 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -62.5 -40.64 97.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.936 0.894 . . . . 0.0 112.381 173.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -65.47 -46.65 78.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 119.359 0.981 . . . . 0.0 111.919 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -38.97 63.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.617 1.167 . . . . 0.0 112.098 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -59.19 -43.97 92.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.88 1.218 . . . . 0.0 112.946 172.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -73.15 -39.89 65.32 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.754 0.822 . . . . 0.0 111.692 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.02 -38.79 71.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.67 1.588 . . . . 0.0 112.057 171.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.54 -44.08 75.29 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.12 0.568 . . . . 0.0 112.103 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -27.37 68.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 31.1 mm -89.39 -16.05 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.972 1.709 . . . . 0.0 113.319 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 123.94 0.896 . . . . 0.0 112.538 178.72 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -29.45 70.8 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.173 0.897 . . . . 0.0 112.925 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.7 -54.61 45.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.76 1.224 . . . . 0.0 111.486 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' B' ' 18' ' ' TYR . 10.3 mp -63.38 -45.47 90.98 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 125.057 1.343 . . . . 0.0 112.364 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -42.14 67.96 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.122 1.769 . . . . 0.0 112.19 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -64.01 -52.23 60.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.6 -31.46 72.51 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.708 0.685 . . . . 0.0 112.831 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.74 -38.29 75.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.896 1.679 . . . . 0.0 111.744 166.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.99 -23.27 23.87 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -66.84 -34.5 77.94 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.108 -0.995 . . . . 0.0 112.044 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.63 -40.94 84.6 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 118.713 0.688 . . . . 0.0 110.566 170.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.49 -42.31 99.4 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.247 0.93 . . . . 0.0 113.001 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.35 -44.97 92.61 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.454 1.024 . . . . 0.0 111.512 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.14 -48.77 79.22 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.929 . . . . 0.0 111.991 172.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CE1' HD23 ' B' ' 7' ' ' LEU . 6.4 m-85 -57.62 -42.03 82.48 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 173.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.01 -26.14 67.4 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.272 0.942 . . . . 0.0 113.131 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.12 -40.57 10.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.28 1.032 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -31.69 62.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.468 0.707 . . . . 0.0 111.925 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -55.29 -34.32 64.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 113.458 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -38.57 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.07 -1.019 . . . . 0.0 112.746 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -84.73 -33.56 23.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.987 1.315 . . . . 0.0 113.546 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.38 6.95 10.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.421 1.888 . . . . 0.0 114.62 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -55.38 -13.84 1.61 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -171.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.13 135.98 93.9 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.953 1.701 . . . . 0.0 110.407 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.68 -28.31 86.31 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.111 2.541 . . . . 0.0 114.208 -166.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.59 -29.72 66.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.133 1.773 . . . . 0.0 114.567 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.88 -40.34 5.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.231 1.812 . . . . 0.0 112.093 173.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 14.4 tmtt? -57.13 -26.47 60.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.924 1.69 . . . . 0.0 114.522 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -99.24 2.46 45.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.68 -46.81 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.564 1.546 . . . . 0.0 110.382 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -65.98 -24.61 66.82 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.634 1.106 . . . . 0.0 111.846 173.142 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.6 -33.46 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.514 1.125 . . . . 0.0 113.043 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -75.84 -41.86 51.24 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.519 -0.738 . . . . 0.0 112.213 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.41 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 4.5 mt -60.63 -46.22 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.183 166.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 18' ' ' TYR . 24.7 mt -54.9 -43.02 72.89 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.018 1.281 . . . . 0.0 112.066 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.82 -38.18 73.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -62.91 -41.01 99.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.259 1.023 . . . . 0.0 112.143 171.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.63 -36.1 70.62 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 110.405 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.69 -40.73 88.87 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.097 -1.002 . . . . 0.0 112.134 169.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.57 -40.36 96.6 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.708 -0.62 . . . . 0.0 112.019 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -62.01 -44.48 96.63 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.834 0.854 . . . . 0.0 111.498 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.27 -39.2 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.243 1.017 . . . . 0.0 112.142 175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -60.68 -42.53 97.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.98 1.264 . . . . 0.0 112.708 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.87 -40.75 63.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 111.632 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -55.82 -38.77 70.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.756 1.622 . . . . 0.0 112.287 172.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.5 -43.32 90.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.427 0.691 . . . . 0.0 112.435 172.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -26.1 67.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.9 mt -80.39 -27.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.959 1.704 . . . . 0.0 113.092 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 124.943 1.297 . . . . 0.0 112.563 178.678 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -62.63 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.993 1.27 . . . . 0.0 113.28 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.65 -48.78 79.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.578 1.151 . . . . 0.0 111.175 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.414 HD23 ' CE1' ' A' ' 18' ' ' TYR . 10.8 mp -71.3 10.27 0.63 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.707 2.803 . . . . 0.0 114.884 173.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.36 -46.02 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.445 1.498 . . . . 0.0 110.479 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -48.12 72.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.96 -37.75 88.56 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.698 0.799 . . . . 0.0 111.732 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.06 -34.68 68.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.284 1.434 . . . . 0.0 112.81 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -87.15 -32.75 19.69 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -61.76 -36.57 81.43 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.881 1.272 . . . . 0.0 111.609 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.91 81.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.41 0.684 . . . . 0.0 110.2 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -40.37 89.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 0.0 112.096 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.4 -44.77 90.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.29 1.036 . . . . 0.0 111.383 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.19 -37.68 88.19 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.467 ' CE1' HD23 ' A' ' 7' ' ' LEU . 3.7 m-85 -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.736 1.614 . . . . 0.0 113.156 173.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -63.89 -41.59 97.67 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.209 0.913 . . . . 0.0 112.655 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.03 -38.32 44.91 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 0.0 112.169 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.43 69.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.639 0.775 . . . . 0.0 112.126 171.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -61.5 -32.88 72.92 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.381 0.991 . . . . 0.0 113.149 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.38 -40.4 73.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.088 -1.008 . . . . 0.0 112.182 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.4 -46.49 83.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.457 0.703 . . . . 0.0 111.997 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.73 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.645 2.378 . . . . 0.0 114.051 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -55.51 -21.95 19.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -61.69 119.46 47.68 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.619 1.568 . . . . 0.0 111.06 168.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -63.12 -18.97 67.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.245 2.63 . . . . 0.0 114.227 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.55 -33.15 69.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.057 0.943 . . . . 0.0 113.178 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.02 -38.12 9.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.844 2.058 . . . . 0.0 112.566 170.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.57 -2.65 2.5 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -118.01 9.52 12.79 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.11 -48.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.615 1.566 . . . . 0.0 110.448 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 -21.32 63.15 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.72 1.146 . . . . 0.0 112.038 171.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -65.86 -34.97 79.37 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.268 -0.895 . . . . 0.0 112.17 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -68.21 -37.44 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.49 0.716 . . . . 0.0 112.316 176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.62 -47.84 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.651 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.307 0.1 OUTLIER -57.97 -40.78 81.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.833 1.197 . . . . 0.0 111.937 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.96 -37.9 82.12 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.764 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -63.77 -38.0 89.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.067 0.947 . . . . 0.0 112.323 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -72.95 -39.87 65.83 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.355 -0.841 . . . . 0.0 110.981 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.63 -35.17 68.03 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.585 -0.697 . . . . 0.0 112.079 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -66.42 -41.35 89.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.916 0.886 . . . . 0.0 112.904 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -62.72 -41.36 99.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.476 1.11 . . . . 0.0 112.619 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.42 -39.19 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.697 1.199 . . . . 0.0 112.006 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.54 -36.57 83.0 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.746 0.818 . . . . 0.0 112.983 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.41 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 31.9 m0 -77.44 -37.29 51.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.421 1.088 . . . . 0.0 112.045 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -47.9 65.75 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 111.941 170.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.02 -27.42 63.53 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 173.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 98.9 m -83.58 -27.89 28.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.788 1.235 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.24 -27.82 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.371 1.468 . . . . 0.0 112.885 168.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 124.974 1.31 . . . . 0.0 112.367 171.232 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -67.74 -41.53 83.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 121.142 1.792 . . . . 0.0 111.372 168.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -43.52 94.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.895 1.278 . . . . 0.0 112.379 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.38 -4.13 34.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.401 1.881 . . . . 0.0 114.559 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.77 -42.0 3.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.358 1.863 . . . . 0.0 109.801 -173.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -67.05 -47.95 69.79 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.13 -34.04 76.73 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.767 0.712 . . . . 0.0 112.168 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -42.9 82.79 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.259 1.424 . . . . 0.0 112.422 166.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -81.42 -24.24 37.03 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.65 -32.04 73.1 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.238 -0.914 . . . . 0.0 111.932 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.88 66.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.093 0.861 . . . . 0.0 110.655 168.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mtp -55.42 -42.51 74.24 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.552 1.069 . . . . 0.0 113.626 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.64 -30.29 52.13 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.667 ' CD1' HD12 ' B' ' 10' ' ' LEU . 5.8 mt -59.41 -47.57 84.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.242 -0.409 . . . . 0.0 110.541 163.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -58.07 -37.8 75.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.583 1.553 . . . . 0.0 114.099 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -27.43 68.36 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.933 1.693 . . . . 0.0 113.875 176.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -105.85 -33.22 8.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.421 1.488 . . . . 0.0 112.885 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -33.35 35.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.324 1.05 . . . . 0.0 111.533 165.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -58.22 -28.14 64.58 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.71 -40.56 66.06 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.871 1.214 . . . . 0.0 111.97 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.85 -32.4 69.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.794 1.238 . . . . 0.0 112.672 172.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.09 28.4 1.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.45 2.3 . . . . 0.0 113.138 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -52.39 -24.84 8.42 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.25 123.1 81.41 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.121 1.368 . . . . 0.0 109.648 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.25 -21.39 72.5 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 122.724 2.283 . . . . 0.0 113.806 -171.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.55 -32.99 67.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.401 1.081 . . . . 0.0 113.184 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -39.86 7.77 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.931 2.093 . . . . 0.0 112.263 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -56.94 -28.61 62.32 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -97.19 8.21 45.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.69 -46.91 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.088 1.355 . . . . 0.0 110.689 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -15.85 63.59 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.726 1.148 . . . . 0.0 112.478 173.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -64.07 -33.48 75.85 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.277 -0.89 . . . . 0.0 113.37 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.76 -39.99 80.0 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.55 -0.719 . . . . 0.0 111.991 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' B' ' 44' ' ' HIS . 67.5 mt -62.75 -48.65 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.579 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.13 -45.31 64.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.653 1.115 . . . . 0.0 112.606 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.97 -40.28 72.03 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.48 -40.0 89.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.636 1.175 . . . . 0.0 112.183 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.92 -39.78 66.0 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.423 -0.798 . . . . 0.0 111.02 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.96 -34.27 71.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.369 -0.832 . . . . 0.0 111.993 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -61.84 -47.45 85.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.198 0.999 . . . . 0.0 111.991 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.434 ' CD2' HG12 ' B' ' 37' ' ' ILE . 50.8 m170 -62.91 -40.9 98.99 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.454 1.102 . . . . 0.0 112.187 177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.6 -40.37 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 112.01 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.61 -41.8 99.2 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.135 -0.978 . . . . 0.0 112.761 172.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.69 -37.26 76.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.795 0.838 . . . . 0.0 111.841 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -49.27 74.44 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.371 1.468 . . . . 0.0 111.698 170.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -40.58 83.37 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.424 0.69 . . . . 0.0 112.572 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -62.23 -19.96 63.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.055 0.942 . . . . 0.0 113.498 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mm -100.25 -10.68 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.036 1.735 . . . . 0.0 113.277 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 . . . . . 0 CA--C 1.551 0.996 0 O-C-N 121.238 -0.914 . . . . 0.0 111.252 168.123 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -56.5 -43.5 79.77 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.36 1.064 . . . . 0.0 112.041 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.99 -39.41 85.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.837 1.255 . . . . 0.0 112.17 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.06 -57.34 6.28 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.314 1.046 . . . . 0.0 110.431 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -41.98 72.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.881 2.473 . . . . 0.0 112.597 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.55 -45.7 78.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 17' ' ' LEU . 19.9 mt -69.76 -35.15 74.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.86 0.755 . . . . 0.0 112.335 174.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.29 -40.53 67.96 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.834 1.253 . . . . 0.0 112.537 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -86.83 -18.25 31.44 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.06 -36.42 77.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.572 1.078 . . . . 0.0 111.987 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.28 91.45 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 167.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.64 -40.79 96.12 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -61.07 -44.74 96.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 111.534 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.76 -51.98 65.51 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.594 0.757 . . . . 0.0 111.353 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -59.17 -38.35 79.56 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.695 1.998 . . . . 0.0 113.619 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -68.13 -38.94 82.77 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.605 1.093 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -83.55 -38.99 20.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.625 0.77 . . . . 0.0 112.833 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.1 -39.41 63.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.556 0.742 . . . . 0.0 111.352 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -58.15 -35.57 71.73 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.68 -46.61 65.69 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.833 -1.167 . . . . 0.0 111.756 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -67.52 -39.86 85.08 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.714 -0.616 . . . . 0.0 112.11 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.37 42.95 1.1 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.531 1.932 . . . . 0.0 112.41 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -18.36 20.98 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 130.44 93.65 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 126.449 1.9 . . . . 0.0 111.64 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.48 -25.12 41.7 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.837 2.358 . . . . 0.0 114.601 -167.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.37 -47.31 72.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.442 1.097 . . . . 0.0 112.774 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -80.68 -39.58 26.95 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.358 1.463 . . . . 0.0 112.034 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -60.7 -16.85 43.86 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.6 m -106.65 10.44 31.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.313 1.445 . . . . 0.0 114.102 171.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.92 -36.14 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.787 1.635 . . . . 0.0 111.556 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 -19.74 34.96 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.552 1.069 . . . . 0.0 112.868 169.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.25 -32.25 58.76 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.962 -1.086 . . . . 0.0 113.186 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -67.28 -28.69 68.23 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.263 -0.898 . . . . 0.0 113.365 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.434 HG12 ' CD2' ' A' ' 44' ' ' HIS . 71.2 mt -67.35 -56.56 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 116.918 -1.515 . . . . 0.0 108.207 161.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 37.2 mt -48.2 -38.71 18.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.684 2.038 . . . . 0.0 114.648 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.73 -30.65 65.86 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.17 -35.2 61.6 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.876 1.67 . . . . 0.0 111.9 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -84.16 -36.47 22.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.798 1.639 . . . . 0.0 109.922 -165.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.67 -32.64 72.84 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.286 1.435 . . . . 0.0 112.194 165.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.49 89.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.986 0.914 . . . . 0.0 112.249 176.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 37' ' ' ILE . 47.8 m170 -64.69 -42.02 95.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 112.301 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.21 -38.69 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.836 0.854 . . . . 0.0 110.863 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.31 -46.15 79.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.964 0.802 . . . . 0.0 112.543 170.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -73.15 -39.72 65.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.5 0.72 . . . . 0.0 112.031 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.07 -43.05 77.57 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.876 1.671 . . . . 0.0 112.375 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.58 -30.69 70.36 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -74.09 -28.53 61.41 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.098 0.959 . . . . 0.0 111.946 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -92.87 -12.15 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 126.216 1.807 . . . . 0.0 113.09 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 126.177 1.791 . . . . 0.0 113.694 176.354 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -62.36 -32.08 72.82 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.687 1.585 . . . . 0.0 111.974 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -40.95 77.55 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.708 1.203 . . . . 0.0 112.588 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' B' ' 18' ' ' TYR . 27.6 mt -73.47 -48.14 35.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.744 0.818 . . . . 0.0 111.063 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -36.78 17.4 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.232 2.613 . . . . 0.0 112.721 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -68.09 -56.37 9.11 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.32 -34.95 74.54 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.144 0.883 . . . . 0.0 112.965 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.8 -44.66 82.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.251 1.421 . . . . 0.0 111.784 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -79.32 -24.71 42.63 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -65.16 -37.74 88.36 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.639 -0.663 . . . . 0.0 111.712 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.66 84.63 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.446 0.567 . . . . 0.0 109.677 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -58.04 -41.63 83.66 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.237 0.926 . . . . 0.0 113.078 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -74.68 -32.91 62.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.642 1.11 . . . . 0.0 113.237 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.675 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 5.9 mt -57.66 -41.77 82.18 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.24 -32.68 74.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.998 1.719 . . . . 0.0 114.124 175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.69 -47.67 82.61 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.943 1.247 . . . . 0.0 112.543 169.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.64 -39.12 62.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.017 0.927 . . . . 0.0 112.111 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.07 71.56 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.401 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -61.74 -33.32 73.85 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.747 1.158 . . . . 0.0 112.518 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.35 -43.51 70.05 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.193 -0.942 . . . . 0.0 112.347 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -45.55 94.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.945 0.898 . . . . 0.0 112.135 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.33 24.32 1.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.216 2.207 . . . . 0.0 114.082 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -21.74 1.91 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -58.55 131.14 85.29 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 124.699 1.2 . . . . 0.0 111.409 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -64.07 -21.96 67.94 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.13 2.553 . . . . 0.0 114.343 -171.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.98 -31.01 70.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.259 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -111.96 -33.27 6.33 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.084 1.754 . . . . 0.0 113.462 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -24.31 43.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.733 1.213 . . . . 0.0 113.684 168.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -101.87 12.99 36.08 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.949 1.7 . . . . 0.0 113.801 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.53 -46.11 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.118 1.367 . . . . 0.0 110.762 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -16.11 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.75 1.159 . . . . 0.0 112.227 170.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -40.29 83.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.852 1.261 . . . . 0.0 113.181 176.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -71.24 -34.35 70.69 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.8 mt -64.64 -49.06 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.18 0.592 . . . . 0.0 109.558 168.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.88 -45.25 64.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.298 0.953 . . . . 0.0 112.591 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.02 -39.55 79.19 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.09 -39.31 92.03 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.125 0.97 . . . . 0.0 112.361 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' OE2' ' ND1' ' B' ' 44' ' ' HIS . 54.5 mm-40 -73.4 -38.44 65.62 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.254 -0.904 . . . . 0.0 111.091 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.01 -35.67 69.52 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.517 -0.74 . . . . 0.0 111.944 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -66.86 -42.86 84.98 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.539 0.735 . . . . 0.0 112.612 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -60.48 -42.52 96.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.154 0.982 . . . . 0.0 112.266 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.08 -37.48 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.696 1.199 . . . . 0.0 112.441 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.07 -40.56 90.96 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.027 -1.045 . . . . 0.0 112.779 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -72.22 -37.19 69.26 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.05 0.94 . . . . 0.0 111.564 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -48.75 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.791 1.637 . . . . 0.0 112.063 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.43 -39.06 85.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.733 0.778 . . . . 0.0 112.935 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -60.94 -30.55 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.889 1.276 . . . . 0.0 112.923 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -80.25 -20.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.679 1.992 . . . . 0.0 112.936 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 CA--C 1.551 1.011 0 C-N-CA 125.845 1.658 . . . . 0.0 112.515 176.168 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -83.64 -35.3 24.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -49.9 -41.53 46.11 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.868 2.067 . . . . 0.0 112.86 165.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.675 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 67.2 mt -81.42 0.96 35.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.553 1.541 . . . . 0.0 114.907 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.5 -44.23 2.47 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.064 1.345 . . . . 0.0 110.694 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.83 -51.83 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.62 -34.48 77.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.712 0.687 . . . . 0.0 112.472 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -40.23 82.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.085 1.354 . . . . 0.0 112.456 166.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.21 -27.03 35.48 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 120.545 -1.347 . . . . 0.0 114.219 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -65.1 -36.29 83.84 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.77 0.714 . . . . 0.0 111.755 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.98 84.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.573 0.624 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtp -59.7 -40.37 87.68 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.826 0.739 . . . . 0.0 112.788 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -38.28 83.34 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.315 0.646 . . . . 0.0 111.576 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.57 -42.45 96.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.493 0.717 . . . . 0.0 112.125 167.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.461 ' CE1' HD13 ' A' ' 7' ' ' LEU . 3.6 m-85 -62.34 -34.0 75.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 113.815 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -57.77 -45.25 86.23 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.179 0.9 . . . . 0.0 112.541 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.03 -36.8 27.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.944 0.898 . . . . 0.0 112.56 -175.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.07 60.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.86 0.864 . . . . 0.0 111.964 168.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -60.42 -25.06 65.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 171.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.85 -36.37 62.34 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.515 1.507 . . . . 0.0 113.039 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.11 -37.75 75.43 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.269 0.628 . . . . 0.0 112.321 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.66 28.02 1.4 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.818 2.047 . . . . 0.0 113.692 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -51.01 -28.85 10.96 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.122 1.769 . . . . 0.0 114.702 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.41 132.29 87.79 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.689 1.596 . . . . 0.0 111.188 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.44 -21.15 71.08 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.658 2.905 . . . . 0.0 114.747 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.51 -28.58 68.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.043 1.337 . . . . 0.0 113.171 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -108.09 -35.48 6.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.831 1.652 . . . . 0.0 113.292 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -53.87 -37.08 63.33 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.842 1.201 . . . . 0.0 113.065 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -91.4 8.64 35.26 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.94 -46.72 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.039 1.336 . . . . 0.0 110.454 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.263 0.5 OUTLIER -68.23 -26.99 65.97 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.73 1.15 . . . . 0.0 111.382 172.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -56.29 -35.11 67.13 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.229 1.377 . . . . 0.0 112.476 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.26 -38.04 84.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.597 0.635 . . . . 0.0 112.097 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.51 -50.61 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 117.394 -1.288 . . . . 0.0 109.553 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -53.34 -40.19 64.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 121.377 1.899 . . . . 0.0 113.026 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.41 -39.89 74.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.905 0.775 . . . . 0.0 112.906 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.523 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 37.8 m-20 -63.12 -41.15 99.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.877 1.271 . . . . 0.0 112.217 169.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -71.61 -37.48 70.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.369 -0.832 . . . . 0.0 110.349 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.53 -36.36 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.147 -0.97 . . . . 0.0 112.088 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -64.73 -39.82 94.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.63 -0.669 . . . . 0.0 112.247 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.529 ' ND1' ' OE2' ' A' ' 41' ' ' GLU . 51.9 m170 -62.29 -48.16 81.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.309 0.959 . . . . 0.0 111.12 173.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.95 -40.51 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.656 1.182 . . . . 0.0 111.554 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -55.82 -48.3 75.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.881 1.219 . . . . 0.0 111.926 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.542 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 26.3 m0 -72.54 -38.79 67.91 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 123.346 0.658 . . . . 0.0 112.055 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.56 -46.55 89.44 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.124 1.77 . . . . 0.0 112.249 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.72 -36.9 83.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.927 0.491 . . . . 0.0 110.814 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 42.9 m -62.83 -33.7 75.78 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.84 -24.58 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.667 1.587 . . . . 0.0 113.442 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 111.887 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.487 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -64.76 -31.05 72.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.86 -44.42 69.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.359 0.664 . . . . 0.0 110.917 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.262 0.2 OUTLIER -64.94 -43.07 93.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.84 0.856 . . . . 0.0 112.461 178.807 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.02 -41.33 71.18 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.3 2.24 . . . . 0.0 112.553 176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.08 -54.01 49.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.09 72.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 175.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -41.18 85.72 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.898 1.279 . . . . 0.0 113.409 163.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.31 -23.42 28.11 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.71 -37.26 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.344 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.35 90.12 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.33 0.968 . . . . 0.0 111.058 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtp -66.04 -42.55 89.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.206 0.603 . . . . 0.0 112.424 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.83 -40.14 91.51 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.754 -0.591 . . . . 0.0 111.069 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.48 98.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.224 1.009 . . . . 0.0 112.422 168.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -63.3 -32.4 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.01 94.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.235 1.014 . . . . 0.0 111.464 173.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -76.72 -40.44 48.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.704 0.802 . . . . 0.0 112.493 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.11 66.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.541 0.736 . . . . 0.0 111.84 171.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -60.23 -31.79 70.51 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.341 1.056 . . . . 0.0 113.393 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -77.31 -43.02 34.6 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.232 -0.918 . . . . 0.0 111.751 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -60.24 -30.65 69.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.213 1.005 . . . . 0.0 112.757 172.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.62 37.15 2.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.097 2.159 . . . . 0.0 113.051 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -25.56 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.863 2.065 . . . . 0.0 116.452 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.41 127.78 91.66 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.365 1.466 . . . . 0.0 111.421 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.4 -20.91 61.32 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.214 2.609 . . . . 0.0 114.377 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.14 -34.41 68.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.764 1.226 . . . . 0.0 112.883 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -92.45 -48.29 6.72 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.925 1.69 . . . . 0.0 111.994 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -52.24 -27.89 16.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 114.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -99.4 5.36 46.37 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.141 1.377 . . . . 0.0 114.35 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.503 HG11 HD11 ' B' ' 51' ' ' ILE . 52.9 t -116.12 -43.38 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.027 1.731 . . . . 0.0 110.946 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.9 OUTLIER -67.29 -19.31 65.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.147 1.34 . . . . 0.0 111.742 166.439 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.0 -36.71 70.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.324 1.049 . . . . 0.0 113.584 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' B' ' 47' ' ' TRP . 1.1 tpmt? -75.92 -37.58 58.58 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.628 -0.67 . . . . 0.0 112.388 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 3.8 mt -59.65 -48.79 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.235 163.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -56.27 -43.0 78.37 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.574 1.534 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -67.78 -40.73 83.97 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.522 ' CB ' ' NE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -64.52 -38.97 92.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 112.387 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.4 -38.99 68.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.413 -0.804 . . . . 0.0 109.805 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -58.34 -36.56 73.62 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.255 -0.903 . . . . 0.0 112.175 169.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.23 -39.97 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.515 ' CE1' HG23 ' B' ' 37' ' ' ILE . 53.4 m170 -63.44 -44.88 93.26 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.57 1.077 . . . . 0.0 110.948 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.78 -37.88 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.482 1.113 . . . . 0.0 111.737 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.43 -49.17 73.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 120.823 1.647 . . . . 0.0 111.743 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HZ3' ' N ' ' B' ' 37' ' ' ILE . 24.4 m0 -72.66 -41.37 65.49 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.375 0.67 . . . . 0.0 111.751 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.66 -47.19 77.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.685 1.594 . . . . 0.0 111.817 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.68 -43.92 91.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.067 0.547 . . . . 0.0 111.508 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -59.28 -24.6 63.39 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 33' ' ' VAL . 82.1 mt -99.1 -14.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.854 1.662 . . . . 0.0 113.118 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 CA--C 1.558 1.27 0 C-N-CA 126.168 1.787 . . . . 0.0 115.368 -177.199 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.51 -38.28 71.57 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.227 -0.92 . . . . 0.0 112.116 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.82 -35.6 80.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.581 1.553 . . . . 0.0 113.031 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.28 -56.1 14.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.092 1.357 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -43.81 69.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.799 2.44 . . . . 0.0 112.707 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.96 -42.81 80.32 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.6 -42.02 95.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.738 0.815 . . . . 0.0 111.911 169.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.6 -33.08 53.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.443 1.497 . . . . 0.0 112.778 170.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -91.01 -24.19 20.16 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.93 -35.11 79.6 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.388 0.995 . . . . 0.0 111.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.04 84.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.191 0.905 . . . . 0.0 110.53 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -60.14 -41.79 93.44 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.522 1.129 . . . . 0.0 112.363 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -68.39 -40.12 81.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.639 0.775 . . . . 0.0 112.017 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.19 97.36 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 169.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.3 -34.83 74.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.888 1.675 . . . . 0.0 113.765 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -60.16 -46.69 88.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.743 1.156 . . . . 0.0 112.549 170.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -75.13 -41.23 58.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.75 -41.43 70.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.317 1.047 . . . . 0.0 111.653 170.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.0 t -63.48 -36.58 84.21 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.179 0.9 . . . . 0.0 112.82 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.93 -46.01 72.7 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.381 -0.824 . . . . 0.0 111.703 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.4 -45.67 92.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.421 1.488 . . . . 0.0 111.564 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.15 34.11 0.87 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.552 2.341 . . . . 0.0 113.877 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -19.98 1.58 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -58.95 129.43 85.74 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 125.405 1.482 . . . . 0.0 111.597 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.03 -22.13 35.89 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.744 2.296 . . . . 0.0 114.78 -162.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.75 -59.07 5.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.134 0.879 . . . . 0.0 111.117 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -62.53 -44.51 96.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.616 1.567 . . . . 0.0 111.412 173.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.67 -20.09 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -100.9 -2.5 31.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.826 1.25 . . . . 0.0 114.103 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 51' ' ' ILE . 39.3 t -96.92 -52.47 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.144 1.378 . . . . 0.0 110.576 174.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.46 -18.88 65.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.463 1.029 . . . . 0.0 112.866 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.67 -34.84 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.382 0.673 . . . . 0.0 112.254 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 27.9 mtpp -68.87 -42.13 77.46 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.25 -0.906 . . . . 0.0 112.106 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.605 ' N ' ' HZ3' ' A' ' 47' ' ' TRP . 3.6 mp -62.34 -49.21 84.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 167.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.09 -41.09 64.6 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.072 1.305 . . . . 0.0 113.213 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.13 -36.97 69.54 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.61 1.096 . . . . 0.0 113.441 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.17 -41.11 97.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.437 1.095 . . . . 0.0 112.19 171.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.435 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 37.5 mm-40 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.764 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.15 -38.52 73.65 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.12 0.568 . . . . 0.0 111.345 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -64.91 -45.08 87.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.406 0.682 . . . . 0.0 112.328 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.546 ' NE2' ' HA ' ' A' ' 37' ' ' ILE . 46.3 m170 -59.91 -48.58 81.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.632 1.105 . . . . 0.0 111.561 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 21.9 mm -58.05 -37.98 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.899 1.279 . . . . 0.0 112.159 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.18 -42.09 98.95 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.073 -1.017 . . . . 0.0 112.753 173.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 36' ' ' LYS . 27.6 m0 -73.37 -40.67 64.19 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.005 0.922 . . . . 0.0 111.919 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.44 -42.09 73.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.773 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.02 -46.23 82.19 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.3 m -57.7 -29.14 64.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.902 1.281 . . . . 0.0 113.029 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 33' ' ' VAL . 78.0 mt -93.19 -26.76 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 113.668 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.5 t30 . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 124.044 0.938 . . . . 0.0 112.208 178.528 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -69.39 -39.86 77.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.753 1.16 . . . . 0.0 111.354 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.7 -29.19 67.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.582 1.153 . . . . 0.0 112.2 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.08 -60.98 1.96 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.852 0.461 . . . . 0.0 110.679 169.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -44.37 35.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.14 2.576 . . . . 0.0 114.159 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -68.5 -48.88 63.26 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -173.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.4 -32.01 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.886 0.874 . . . . 0.0 112.971 170.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.38 -40.41 74.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 111.602 164.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -82.13 -17.97 44.55 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 174.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.44 -36.78 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.125 -0.985 . . . . 0.0 111.917 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.79 85.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.641 0.655 . . . . 0.0 110.913 166.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.8 mmm -66.87 -41.31 87.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.11 0.964 . . . . 0.0 113.248 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -66.99 -41.73 86.24 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.64 -0.662 . . . . 0.0 111.559 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.792 ' CD1' ' HG2' ' B' ' 6' ' ' GLU . 1.3 mt -55.83 -49.9 72.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.725 0.81 . . . . 0.0 112.012 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.66 ' CE1' HD13 ' B' ' 7' ' ' LEU . 2.1 m-85 -57.92 -38.63 76.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.599 1.56 . . . . 0.0 114.129 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -62.21 -33.84 75.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.721 0.808 . . . . 0.0 112.551 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -80.25 -40.99 25.9 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.0 0.92 . . . . 0.0 112.302 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.27 -36.46 68.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 173.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 t -57.88 -34.08 69.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.632 1.173 . . . . 0.0 113.269 170.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.66 -44.75 77.12 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.185 -0.947 . . . . 0.0 111.917 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.3 -44.67 94.36 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.945 0.898 . . . . 0.0 111.667 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.98 28.19 1.22 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.909 2.084 . . . . 0.0 114.113 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -22.91 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.51 129.57 91.27 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.766 1.226 . . . . 0.0 111.448 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.75 -23.89 62.46 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.031 2.487 . . . . 0.0 114.602 -166.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -57.01 -27.47 61.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.592 1.557 . . . . 0.0 114.009 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.01 -38.05 5.67 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.076 1.75 . . . . 0.0 112.631 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.86 -33.79 62.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -87.47 -2.75 58.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.82 -50.13 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.079 1.352 . . . . 0.0 110.414 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.271 0.9 OUTLIER -67.52 -23.0 65.4 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.482 1.037 . . . . 0.0 112.061 173.743 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -60.97 -36.68 80.04 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.734 -1.229 . . . . 0.0 113.656 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -69.0 -34.47 75.32 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.24 -0.912 . . . . 0.0 112.384 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.51 -50.7 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.001 0.92 . . . . 0.0 109.203 166.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -52.4 -38.6 59.41 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 120.321 1.419 . . . . 0.0 112.694 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.87 -41.93 70.72 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.742 ' OD2' ' NE2' ' B' ' 44' ' ' HIS . 22.6 m-20 -61.45 -39.3 90.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.393 1.077 . . . . 0.0 112.167 173.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 43.8 mm-40 -75.64 -34.23 60.52 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.986 -177.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -60.8 -38.05 84.05 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.494 -0.754 . . . . 0.0 111.184 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -62.91 -40.41 97.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.721 0.808 . . . . 0.0 112.6 173.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.985 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 55.2 m170 -62.27 -48.73 78.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.323 0.965 . . . . 0.0 111.173 175.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.36 -39.47 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.018 0.927 . . . . 0.0 112.047 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.62 -49.9 69.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.947 0.794 . . . . 0.0 112.069 172.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 1.258 ' CZ3' HG12 ' B' ' 37' ' ' ILE . 19.7 m0 -72.67 -40.68 66.12 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.105 0.562 . . . . 0.0 111.808 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.12 -43.82 82.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.027 1.731 . . . . 0.0 112.182 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -66.87 -41.19 87.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.084 0.554 . . . . 0.0 112.051 172.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -63.4 -26.21 68.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -88.48 -17.1 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.717 1.607 . . . . 0.0 113.204 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 124.721 1.208 . . . . 0.0 111.913 169.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.86 -34.89 75.3 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 118.669 0.668 . . . . 0.0 111.201 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.792 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 26.2 tt0 -54.94 -43.5 73.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.044 1.738 . . . . 0.0 112.532 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.66 HD13 ' CE1' ' A' ' 18' ' ' TYR . 93.9 mt -65.53 -54.94 21.09 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.41 1.084 . . . . 0.0 112.077 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -43.26 35.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.262 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -65.64 -51.94 55.61 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.53 -31.12 72.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -57.51 -41.41 80.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.431 1.092 . . . . 0.0 112.833 164.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.44 -20.75 36.35 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.2 -31.53 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 119.094 0.861 . . . . 0.0 111.958 173.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.63 -48.41 48.06 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.278 0.944 . . . . 0.0 110.024 171.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mtp -53.01 -42.63 65.81 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.682 1.128 . . . . 0.0 113.282 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.7 -35.35 70.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.753 -1.217 . . . . 0.0 111.841 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -40.25 95.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.407 0.683 . . . . 0.0 111.038 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.84 -36.56 81.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.72 2.008 . . . . 0.0 113.253 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtp85 -61.44 -46.47 89.95 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.232 0.924 . . . . 0.0 112.641 172.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.34 -37.14 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.493 0.717 . . . . 0.0 112.649 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.86 64.87 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.184 0.994 . . . . 0.0 111.512 168.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t -64.57 -25.41 67.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -50.01 27.37 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.702 1.137 . . . . 0.0 111.267 172.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -66.3 -39.87 89.62 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.55 39.75 1.01 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.55 1.94 . . . . 0.0 113.14 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -17.15 1.76 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 172.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.85 135.42 77.54 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.43 1.892 . . . . 0.0 112.144 171.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.72 -15.66 33.52 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.556 2.838 . . . . 0.0 115.275 -168.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.31 -40.69 74.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.929 0.892 . . . . 0.0 112.379 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.72 -35.89 16.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.573 1.549 . . . . 0.0 112.903 172.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.94 -3.81 0.86 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -120.85 18.48 11.82 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.885 1.274 . . . . 0.0 113.744 168.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.06 -45.38 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.347 1.859 . . . . 0.0 110.411 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -20.76 60.9 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.193 -0.942 . . . . 0.0 111.629 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.36 -43.77 80.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.367 1.067 . . . . 0.0 112.324 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -70.83 -33.07 70.3 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 1.258 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 93.2 mt -66.91 -46.78 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.836 168.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -42.56 64.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.939 1.245 . . . . 0.0 112.816 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.0 -35.3 76.53 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.2 -39.01 86.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.36 1.064 . . . . 0.0 112.361 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.985 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 51.1 mm-40 -74.74 -37.64 62.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.207 -0.933 . . . . 0.0 110.823 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -36.37 69.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.76 170.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -64.77 -43.11 94.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 0.0 112.432 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.742 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 53.4 m170 -61.9 -41.76 98.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.374 1.069 . . . . 0.0 112.066 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.76 -39.57 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 111.945 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.92 -40.13 96.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.303 0.956 . . . . 0.0 112.935 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -72.22 -38.51 68.97 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.951 0.9 . . . . 0.0 111.843 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -49.68 72.95 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 170.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.91 -44.61 91.28 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -58.48 -30.15 66.77 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -85.99 -20.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.927 1.691 . . . . 0.0 114.185 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 125.18 1.392 . . . . 0.0 112.141 -178.06 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -57.27 -41.49 79.81 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.379 1.445 . . . . 0.0 111.835 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -22.12 65.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.688 1.595 . . . . 0.0 113.345 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.54 -51.16 5.25 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.078 1.351 . . . . 0.0 110.312 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -41.35 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.812 2.845 . . . . 0.0 113.018 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -64.93 -50.57 65.94 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.13 -35.06 77.5 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.191 0.997 . . . . 0.0 112.497 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.03 -34.88 70.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.459 1.104 . . . . 0.0 112.473 166.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -87.01 -21.11 26.34 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.27 -38.23 87.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.21 0.914 . . . . 0.0 111.36 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.11 90.17 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 118.683 0.674 . . . . 0.0 110.215 168.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -62.11 -41.82 98.61 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.93 -36.29 75.21 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.477 1.035 . . . . 0.0 112.34 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.6 -45.93 92.01 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.5 m-85 -58.19 -38.86 77.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.405 1.882 . . . . 0.0 113.288 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.94 -30.18 68.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.296 1.438 . . . . 0.0 113.696 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -96.46 -41.34 8.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.682 1.193 . . . . 0.0 112.221 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.4 -33.56 54.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.156 0.982 . . . . 0.0 111.85 167.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -57.54 -35.99 71.04 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.93 -45.29 71.18 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.962 -1.086 . . . . 0.0 112.206 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -61.24 -33.77 74.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.184 0.993 . . . . 0.0 112.631 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.15 16.93 10.33 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.693 1.997 . . . . 0.0 115.059 -175.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -45.5 -18.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 118.421 2.748 . . . . 0.0 118.421 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -63.76 124.71 85.77 Favored Pre-proline 0 CA--C 1.553 1.088 0 CA-C-N 119.351 0.978 . . . . 0.0 109.899 168.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.78 -26.95 75.09 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.751 2.301 . . . . 0.0 113.891 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.4 -33.53 30.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.511 1.524 . . . . 0.0 114.369 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -104.11 -39.51 6.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.683 1.993 . . . . 0.0 112.698 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -59.69 -22.05 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -101.19 7.56 43.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.21 1.404 . . . . 0.0 114.027 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -114.48 -44.81 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 110.994 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -15.08 63.41 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.869 1.213 . . . . 0.0 111.956 168.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.53 -36.92 81.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 46.3 mttp -65.33 -39.41 92.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.172 0.896 . . . . 0.0 112.242 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 77.6 mt -62.15 -53.19 50.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 108.28 169.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 18' ' ' TYR . 32.0 mt -50.45 -41.28 52.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.49 1.496 . . . . 0.0 113.718 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.36 -46.8 69.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.67 1.123 . . . . 0.0 113.391 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.533 ' CB ' ' NE2' ' B' ' 44' ' ' HIS . 33.8 m-20 -59.19 -35.41 73.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.825 1.65 . . . . 0.0 112.675 172.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 5.2 tp10 -87.72 -33.09 18.85 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 110.893 -167.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.96 -32.55 74.1 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 111.732 163.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -59.97 -40.55 89.45 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.11 0.964 . . . . 0.0 112.117 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.706 ' CE1' HG23 ' B' ' 37' ' ' ILE . 57.8 m170 -62.55 -43.11 99.63 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.282 1.033 . . . . 0.0 111.904 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.6 -42.2 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.425 1.09 . . . . 0.0 112.041 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.53 -40.75 83.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.313 0.961 . . . . 0.0 112.558 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 1.036 ' CE3' HG13 ' B' ' 37' ' ' ILE . 22.1 m0 -75.29 -40.29 58.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.84 0.856 . . . . 0.0 111.9 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.49 -41.93 81.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.602 1.561 . . . . 0.0 113.042 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -25.22 61.98 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.808 0.843 . . . . 0.0 113.245 173.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 m -76.47 -31.18 57.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.379 1.072 . . . . 0.0 111.109 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.66 HD11 ' CG1' ' B' ' 33' ' ' VAL . 62.0 mt -76.82 -17.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.559 1.944 . . . . 0.0 112.745 174.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 124.685 1.194 . . . . 0.0 112.039 174.08 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -58.49 -41.5 85.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.667 0.787 . . . . 0.0 110.827 168.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.47 -35.58 78.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.069 0.948 . . . . 0.0 112.66 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.0 -60.68 2.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.911 0.884 . . . . 0.0 110.487 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -43.76 66.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.23 2.212 . . . . 0.0 111.748 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -67.4 -41.96 84.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.11 -35.15 69.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.154 0.888 . . . . 0.0 112.934 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.448 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 1.5 mm-40 -53.8 -39.48 65.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.271 1.429 . . . . 0.0 111.893 163.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.74 -18.26 35.72 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -68.33 -39.08 82.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.661 1.119 . . . . 0.0 111.447 172.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.97 88.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.71 0.686 . . . . 0.0 110.927 171.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.5 tpt -65.72 -44.66 85.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.937 1.695 . . . . 0.0 111.961 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -65.07 -36.21 83.62 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.602 -1.311 . . . . 0.0 112.492 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.46 -47.36 86.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.997 167.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.23 -33.59 74.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.872 1.669 . . . . 0.0 114.288 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.09 -47.5 71.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.526 1.13 . . . . 0.0 112.403 168.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -91.38 -31.8 15.91 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.93 0.892 . . . . 0.0 112.833 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.63 -32.18 62.94 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.395 1.478 . . . . 0.0 112.846 171.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.4 t -60.23 -38.57 83.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.099 0.96 . . . . 0.0 112.955 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.32 -38.12 51.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.112 1.365 . . . . 0.0 112.559 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -34.27 78.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.587 1.155 . . . . 0.0 113.227 173.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.684 0.794 . . . . 0.0 111.808 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 48.13 17.59 0.12 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.204 2.202 . . . . 0.0 115.565 -172.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -120.63 134.69 24.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.416 1.487 . . . . 0.0 110.75 -170.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -65.83 -26.84 52.01 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.125 2.55 . . . . 0.0 114.11 -166.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -62.24 -46.51 88.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.772 0.796 . . . . 0.0 112.005 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -73.45 -39.31 65.05 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.421 1.488 . . . . 0.0 111.571 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -60.81 -4.33 0.96 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.86 2.064 . . . . 0.0 114.228 172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -123.04 12.47 9.65 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.938 1.695 . . . . 0.0 113.368 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 51' ' ' ILE . 23.6 t -121.4 -43.71 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.499 1.92 . . . . 0.0 110.691 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -17.06 59.81 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.638 1.108 . . . . 0.0 111.02 170.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -69.83 -39.56 76.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.903 1.281 . . . . 0.0 112.356 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -68.13 -39.01 82.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.428 -0.795 . . . . 0.0 112.938 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 1.036 HG13 ' CE3' ' A' ' 47' ' ' TRP . 83.9 mt -61.84 -51.3 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.726 167.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.78 -43.46 63.03 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 120.445 1.475 . . . . 0.0 113.571 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.15 -30.67 67.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.884 1.22 . . . . 0.0 113.737 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.87 -34.38 69.15 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.792 1.637 . . . . 0.0 112.754 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.651 ' OE1' ' ND1' ' A' ' 44' ' ' HIS . 6.9 tp10 -93.52 -38.14 11.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.074 1.349 . . . . 0.0 111.09 -161.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.91 -27.86 68.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.431 1.092 . . . . 0.0 111.047 163.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -65.95 -39.08 90.13 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.533 ' NE2' ' CB ' ' A' ' 40' ' ' ASP . 52.7 m170 -59.55 -45.17 92.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.006 0.923 . . . . 0.0 111.232 173.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 44.5 mm -56.9 -44.06 81.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.26 -43.68 78.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 120.176 1.353 . . . . 0.0 112.06 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 36' ' ' LYS . 22.2 m0 -72.71 -44.64 61.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.343 0.657 . . . . 0.0 111.421 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.01 -39.94 60.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.854 1.662 . . . . 0.0 112.327 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.48 -44.21 62.6 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.202 1.001 . . . . 0.0 112.597 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -57.72 -26.82 62.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.773 0.829 . . . . 0.0 112.665 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.62 -6.51 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 127.048 2.139 . . . . 0.0 113.297 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.29 1.436 . . . . 0.0 112.001 -169.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -63.08 -38.26 90.47 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 111.265 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.78 -40.99 90.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.506 1.523 . . . . 0.0 112.388 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 63.7 mt -67.36 -55.71 12.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.684 0.793 . . . . 0.0 110.808 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -47.43 45.36 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.221 2.608 . . . . 0.0 112.88 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.97 -48.69 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.33 -33.45 75.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.59 -37.68 70.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.411 1.084 . . . . 0.0 111.971 164.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.73 -19.48 41.36 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -36.07 81.43 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.986 1.266 . . . . 0.0 111.748 174.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.15 81.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.687 0.676 . . . . 0.0 110.896 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 tpp -60.3 -41.53 93.62 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.195 0.998 . . . . 0.0 112.971 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.19 -38.45 75.34 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.249 -0.907 . . . . 0.0 111.771 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' B' ' 7' ' ' LEU . 5.3 mt -58.32 -49.72 76.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.242 0.617 . . . . 0.0 111.224 167.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -54.42 -37.56 65.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.766 1.627 . . . . 0.0 114.54 172.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -60.54 -28.47 68.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.746 1.218 . . . . 0.0 113.427 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.46 -36.33 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.057 1.343 . . . . 0.0 112.626 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.74 56.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.048 0.939 . . . . 0.0 111.654 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -56.7 -34.53 67.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.533 1.133 . . . . 0.0 113.622 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -72.38 -44.45 62.52 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.007 -1.058 . . . . 0.0 111.928 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.23 -18.71 63.83 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.649 1.179 . . . . 0.0 113.465 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.72 30.2 7.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.761 2.425 . . . . 0.0 112.616 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -48.83 -25.77 2.05 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.26 133.97 95.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.801 2.04 . . . . 0.0 111.465 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -63.3 -20.23 70.01 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.719 2.279 . . . . 0.0 113.487 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -56.58 -20.34 20.39 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.994 2.118 . . . . 0.0 114.599 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -126.06 -35.05 2.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.067 1.747 . . . . 0.0 113.255 175.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -66.65 2.15 1.47 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -125.68 17.95 8.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.895 1.678 . . . . 0.0 112.662 167.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -121.98 -50.01 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.797 1.639 . . . . 0.0 110.656 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -19.98 65.44 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.406 1.003 . . . . 0.0 110.759 170.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.1 -29.9 71.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.163 1.385 . . . . 0.0 112.785 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -40.43 53.73 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.525 -0.735 . . . . 0.0 110.886 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -61.21 -48.68 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.263 1.025 . . . . 0.0 109.515 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -53.69 -40.67 66.2 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.69 1.132 . . . . 0.0 112.821 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -67.31 -43.83 80.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.951 0.796 . . . . 0.0 113.046 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.25 -39.95 88.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.789 1.236 . . . . 0.0 112.18 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -74.8 -36.71 62.48 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.278 -0.889 . . . . 0.0 111.176 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.42 -36.2 77.59 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.651 -0.656 . . . . 0.0 111.329 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -66.15 -41.29 90.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.574 0.75 . . . . 0.0 112.534 172.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -61.59 -47.87 83.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.464 1.029 . . . . 0.0 111.521 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.14 -42.16 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 124.179 0.992 . . . . 0.0 111.113 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -56.26 -42.53 77.54 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.689 1.131 . . . . 0.0 112.207 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.1 m0 -75.19 -39.09 60.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 112.679 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.06 -41.83 98.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.59 -33.02 74.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.85 1.26 . . . . 0.0 112.058 169.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.2 m -71.3 -33.7 69.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.28 0.562 . . . . 0.0 111.098 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.88 -15.02 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.151 1.78 . . . . 0.0 113.174 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.7 t30 . . . . . 0 CA--C 1.552 1.031 0 C-N-CA 126.475 1.91 . . . . 0.0 113.203 -176.014 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -54.45 -34.65 61.85 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.581 1.152 . . . . 0.0 112.23 167.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.28 -46.44 64.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.477 0.711 . . . . 0.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 17' ' ' LEU . 28.3 mt -59.72 -51.65 68.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.111 0.964 . . . . 0.0 110.792 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.83 -41.45 61.79 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.969 2.508 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -56.75 13.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.97 -32.17 73.62 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.37 0.668 . . . . 0.0 112.556 175.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.63 -38.06 74.37 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.489 1.115 . . . . 0.0 113.277 165.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.35 -19.97 28.99 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 174.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -64.68 -33.92 77.09 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.305 0.957 . . . . 0.0 111.859 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.14 67.02 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.176 0.898 . . . . 0.0 110.676 170.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.87 -36.88 68.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -79.94 -32.05 40.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 6.1 mt -58.03 -47.43 83.11 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.417 162.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 15.3 m-85 -56.88 -42.42 79.79 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.758 1.623 . . . . 0.0 114.256 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -61.29 -28.13 68.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -103.27 -37.24 7.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.936 0.894 . . . . 0.0 112.703 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.51 -39.14 60.96 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.735 1.214 . . . . 0.0 111.419 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -65.47 -24.92 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.02 -42.34 57.48 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.02 -1.05 . . . . 0.0 111.198 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -48.99 31.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.421 1.088 . . . . 0.0 111.603 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.55 47.79 0.86 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.52 1.928 . . . . 0.0 112.339 171.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -13.35 9.96 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.27 133.16 95.36 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 126.074 1.75 . . . . 0.0 111.171 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.78 -16.3 45.85 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.37 2.713 . . . . 0.0 114.579 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.23 -64.02 0.99 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 111.15 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -37.48 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.168 0.987 . . . . 0.0 111.539 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -66.65 -0.56 2.96 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t -123.58 16.7 9.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.825 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.88 -50.94 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.869 1.668 . . . . 0.0 109.898 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -19.13 61.54 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.376 -0.828 . . . . 0.0 111.802 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.32 -34.48 68.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.931 0.892 . . . . 0.0 112.438 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -72.83 -35.5 67.3 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.384 -0.822 . . . . 0.0 112.051 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.445 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 88.2 mt -59.87 -57.78 10.15 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-O 117.338 -1.315 . . . . 0.0 108.972 164.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.32 0.5 OUTLIER -59.71 -29.39 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 121.375 1.898 . . . . 0.0 113.523 -173.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.95 -41.16 68.09 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.569 1.077 . . . . 0.0 113.798 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -61.12 -37.52 83.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.993 1.317 . . . . 0.0 111.996 167.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.69 -36.65 43.27 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.05 1.34 . . . . 0.0 111.72 -169.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.77 -33.11 74.5 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.837 0.855 . . . . 0.0 111.538 167.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -60.24 -37.2 79.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.346 1.058 . . . . 0.0 112.482 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -65.7 -42.53 91.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.13 0.972 . . . . 0.0 112.279 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.06 -40.21 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.734 0.814 . . . . 0.0 110.598 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.07 -46.13 75.42 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.008 0.822 . . . . 0.0 112.741 171.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -73.58 -40.02 64.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.928 0.891 . . . . 0.0 112.363 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.19 -44.7 83.86 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.969 1.708 . . . . 0.0 111.911 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.29 -31.28 72.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.646 0.779 . . . . 0.0 112.468 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 12.1 m -74.6 -29.07 61.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.913 -0.492 . . . . 0.0 111.62 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.8 -25.1 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.094 1.358 . . . . 0.0 112.96 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 . . . . . 0 CA--C 1.548 0.894 0 C-N-CA 125.804 1.642 . . . . 0.0 112.013 178.217 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.711 1.141 . . . . 0.0 112.099 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.87 -43.29 96.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.909 0.884 . . . . 0.0 112.45 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.96 -49.31 75.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.191 0.996 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.9 65.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.948 2.499 . . . . 0.0 113.291 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.79 -53.22 35.13 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -35.33 79.44 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 112.784 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.1 -43.84 74.37 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.199 1.0 . . . . 0.0 112.431 166.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -84.32 -23.28 30.31 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.6 -35.53 77.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.074 0.852 . . . . 0.0 111.775 172.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.12 74.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.151 0.887 . . . . 0.0 110.808 169.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.53 -40.12 86.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.311 1.044 . . . . 0.0 112.716 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -41.05 80.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.325 -0.86 . . . . 0.0 111.519 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' B' ' 7' ' ' LEU . 8.3 mt -58.74 -46.98 86.19 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.854 0.862 . . . . 0.0 111.204 171.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -53.21 -43.71 67.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.526 1.53 . . . . 0.0 114.744 168.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -63.35 -31.06 72.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.96 1.254 . . . . 0.0 114.013 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.6 -39.62 13.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.012 0.925 . . . . 0.0 112.178 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.48 61.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 111.63 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 t -59.67 -38.5 81.67 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.497 1.119 . . . . 0.0 113.718 173.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.224 -0.922 . . . . 0.0 110.334 171.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.98 71.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.014 1.326 . . . . 0.0 113.617 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.23 24.75 4.19 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.41 2.284 . . . . 0.0 113.948 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -17.76 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.65 119.5 44.44 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 119.604 1.093 . . . . 0.0 111.1 166.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.94 -16.31 40.9 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.936 3.091 . . . . 0.0 115.506 -156.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.25 -68.61 0.36 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.877 1.271 . . . . 0.0 110.737 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -39.76 64.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.803 1.641 . . . . 0.0 111.854 167.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -56.85 -28.59 61.88 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -95.78 3.23 53.96 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.68 -50.47 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.011 1.324 . . . . 0.0 110.403 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -19.78 65.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.516 1.053 . . . . 0.0 112.694 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -57.52 -39.97 77.72 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.902 0.881 . . . . 0.0 113.218 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.73 -39.84 88.13 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.532 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.55 -47.06 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.418 172.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.284 0.1 OUTLIER -58.72 -38.56 78.6 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.432 1.014 . . . . 0.0 111.898 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -72.73 -36.3 67.74 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.31 0.959 . . . . 0.0 113.328 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -63.87 -40.7 97.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.739 1.215 . . . . 0.0 112.555 168.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.47 -38.18 84.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.553 -0.717 . . . . 0.0 110.167 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.42 -39.61 76.57 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.164 -0.96 . . . . 0.0 112.846 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -64.89 -43.19 93.7 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.565 -0.71 . . . . 0.0 111.853 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -61.23 -42.85 99.32 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.048 0.939 . . . . 0.0 112.308 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.06 -42.58 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 111.252 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.59 -41.99 95.83 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.973 0.806 . . . . 0.0 112.575 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -73.65 -32.91 64.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.452 1.101 . . . . 0.0 112.079 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -48.84 79.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.345 1.058 . . . . 0.0 112.077 173.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -23.31 67.32 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.223 0.609 . . . . 0.0 112.456 172.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -79.84 -30.75 40.45 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.61 0.764 . . . . 0.0 112.333 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.13 -24.03 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.616 1.566 . . . . 0.0 112.801 172.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 125.144 1.378 . . . . 0.0 112.426 168.812 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -66.13 -36.7 83.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.808 0.843 . . . . 0.0 111.811 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.67 -42.96 99.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.383 1.473 . . . . 0.0 112.646 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 17' ' ' LEU . 40.3 mt -62.19 -55.95 23.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -43.49 70.38 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 128.581 2.753 . . . . 0.0 112.716 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.35 -48.55 72.59 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.64 -36.69 85.07 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.203 0.91 . . . . 0.0 112.28 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.89 -37.4 68.81 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.676 1.19 . . . . 0.0 113.448 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -88.56 -24.09 22.97 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -66.97 -35.26 79.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.944 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.3 80.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.306 0.957 . . . . 0.0 110.486 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -43.83 93.56 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.066 0.946 . . . . 0.0 113.009 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.37 -36.45 79.22 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.45 -1.406 . . . . 0.0 112.761 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.44 -42.67 87.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.09 0.556 . . . . 0.0 111.553 167.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.27 -43.13 99.53 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.866 1.666 . . . . 0.0 113.063 175.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -44.59 83.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.988 1.315 . . . . 0.0 111.627 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.09 -35.22 21.96 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.1 -33.94 65.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.284 0.633 . . . . 0.0 111.661 170.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -56.05 -30.92 62.64 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.138 0.975 . . . . 0.0 113.602 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.51 -44.48 74.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.03 -1.044 . . . . 0.0 112.523 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.39 -41.37 76.54 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.681 -0.637 . . . . 0.0 112.253 172.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.16 21.74 0.57 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.109 2.164 . . . . 0.0 114.13 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.03 2.23 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -58.85 130.32 85.91 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.026 0.93 . . . . 0.0 110.142 170.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -62.36 -21.89 73.32 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 122.986 2.457 . . . . 0.0 114.024 -170.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.69 -43.62 98.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 112.738 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.9 -36.79 13.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.422 1.489 . . . . 0.0 112.437 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.12 -29.02 60.08 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -97.42 11.74 35.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.98 -46.37 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.759 1.224 . . . . 0.0 110.421 172.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -18.26 63.39 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.59 1.086 . . . . 0.0 112.532 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.13 -43.0 96.0 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.864 . . . . 0.0 113.09 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -69.44 -36.6 76.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.362 -0.836 . . . . 0.0 112.656 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.3 -52.01 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.886 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.282 0.4 OUTLIER -61.12 -33.69 73.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.383 1.447 . . . . 0.0 112.714 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.95 -37.98 69.86 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.366 -0.834 . . . . 0.0 113.009 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -61.46 -38.48 87.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.535 1.134 . . . . 0.0 112.043 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -70.92 -37.9 72.93 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.135 -0.978 . . . . 0.0 111.567 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.62 -37.75 76.54 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.221 -0.924 . . . . 0.0 111.702 170.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -61.99 -43.62 98.46 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 112.314 171.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -63.09 -43.1 99.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.698 1.136 . . . . 0.0 112.197 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.36 -39.45 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.259 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.84 -45.17 86.63 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.675 1.125 . . . . 0.0 112.535 171.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -72.79 -37.77 67.47 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.537 -0.727 . . . . 0.0 112.389 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.46 -44.76 89.36 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.828 1.651 . . . . 0.0 111.785 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.51 -35.52 77.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.24 0.616 . . . . 0.0 112.172 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -71.15 -21.98 62.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.968 0.507 . . . . 0.0 112.333 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.02 -16.29 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.098 1.759 . . . . 0.0 113.604 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.309 173.895 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.41 69.31 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.527 -1.358 . . . . 0.0 111.864 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.33 -25.1 32.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.853 . . . . 0.0 113.292 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.55 -45.92 5.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 111.866 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -38.74 10.88 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.115 2.166 . . . . 0.0 112.57 172.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -65.41 -53.55 41.47 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.14 -36.11 82.52 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.857 0.863 . . . . 0.0 112.55 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.83 -41.69 71.0 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.839 1.256 . . . . 0.0 111.832 168.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -80.66 -25.8 38.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.03 -34.96 79.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.144 0.884 . . . . 0.0 111.975 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.52 80.21 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.779 169.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -64.01 -36.15 83.06 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.997 1.271 . . . . 0.0 112.802 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -69.71 -40.65 76.14 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.303 1.041 . . . . 0.0 111.876 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.07 -42.67 98.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.071 0.948 . . . . 0.0 112.604 168.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.48 -34.05 76.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.766 1.626 . . . . 0.0 113.117 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -54.06 -43.68 70.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.53 0.732 . . . . 0.0 112.431 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.77 -38.68 21.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.016 0.926 . . . . 0.0 113.033 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.56 -37.53 73.28 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.571 0.749 . . . . 0.0 112.309 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 t -61.14 -41.02 95.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.565 0.746 . . . . 0.0 112.83 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.58 -43.89 71.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.079 -1.013 . . . . 0.0 112.361 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.75 -29.54 67.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.589 1.156 . . . . 0.0 113.192 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.58 -58.06 8.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.604 1.161 . . . . 0.0 112.678 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER 34.81 28.39 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.543 2.337 . . . . 0.0 116.666 -169.092 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -134.86 130.43 19.6 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.621 1.569 . . . . 0.0 110.873 -172.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -67.08 -22.81 46.99 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.517 2.811 . . . . 0.0 114.708 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.06 -27.38 68.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.422 1.089 . . . . 0.0 112.884 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.25 -28.27 5.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.625 1.97 . . . . 0.0 113.913 178.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.58 -21.53 53.33 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.629 1.104 . . . . 0.0 113.965 168.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -103.41 11.07 36.99 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.219 1.408 . . . . 0.0 113.836 174.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -114.64 -44.42 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.914 1.286 . . . . 0.0 110.798 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -18.69 65.5 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.572 1.078 . . . . 0.0 112.499 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -65.17 -34.91 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.076 -1.015 . . . . 0.0 113.704 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -69.07 -39.51 79.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.061 0.846 . . . . 0.0 112.522 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.406 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 9.5 mt -60.06 -49.14 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.176 168.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.12 -40.17 60.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.412 1.46 . . . . 0.0 113.031 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.46 -36.06 63.32 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.82 -43.24 99.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.365 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.78 -33.06 71.89 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.766 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.79 -37.68 85.26 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.085 -1.009 . . . . 0.0 112.661 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -66.49 -37.98 86.26 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.994 0.815 . . . . 0.0 112.164 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -61.6 -46.44 89.84 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 0.0 111.216 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.27 -39.57 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.51 1.124 . . . . 0.0 112.037 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.21 -49.74 68.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.096 1.316 . . . . 0.0 111.649 172.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 26.7 m0 -71.47 -40.05 70.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.13 0.572 . . . . 0.0 111.355 -176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.88 -47.97 81.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.987 1.315 . . . . 0.0 112.38 174.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -32.54 70.54 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.444 -0.785 . . . . 0.0 112.301 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -62.46 -38.46 89.9 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.918 -1.114 . . . . 0.0 113.223 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.8 mm -75.87 -14.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 0.0 112.923 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.559 1.303 0 C-N-CA 126.744 2.018 . . . . 0.0 114.491 176.657 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -63.12 -36.56 84.01 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.51 1.05 . . . . 0.0 111.695 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.46 -48.54 78.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.618 1.567 . . . . 0.0 112.042 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.18 -53.57 29.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.104 1.762 . . . . 0.0 112.24 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -47.24 59.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.522 1.929 . . . . 0.0 112.178 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -61.39 -44.21 97.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.53 -38.89 88.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.348 0.977 . . . . 0.0 113.017 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.02 -36.2 65.24 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.715 1.606 . . . . 0.0 112.497 167.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -86.36 -26.51 24.78 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -64.31 -36.45 84.16 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.355 -0.84 . . . . 0.0 111.048 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.86 81.61 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 122.94 0.496 . . . . 0.0 110.148 171.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -39.93 89.28 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.412 1.005 . . . . 0.0 112.287 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.81 0.844 . . . . 0.0 111.622 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.38 -43.42 88.5 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.521 0.728 . . . . 0.0 111.718 167.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.448 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 8.8 m-85 -67.59 -28.25 67.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.658 1.583 . . . . 0.0 113.531 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.31 -47.76 80.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.9 0.773 . . . . 0.0 112.833 167.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -34.89 30.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.764 -174.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.65 64.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.836 1.655 . . . . 0.0 112.138 172.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.85 -40.77 96.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.317 0.647 . . . . 0.0 112.403 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.63 -44.08 65.01 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 120.985 -1.072 . . . . 0.0 112.299 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -70.68 -23.24 62.45 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.21 23.29 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.897 0.879 . . . . 0.0 112.168 164.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER 37.29 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.995 2.118 . . . . 0.0 115.83 -166.485 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -124.99 127.35 25.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.026 1.73 . . . . 0.0 110.363 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.22 -27.6 41.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.285 2.657 . . . . 0.0 114.225 -165.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.46 -48.23 82.1 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.707 0.803 . . . . 0.0 111.712 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -60.54 -43.23 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.886 1.274 . . . . 0.0 110.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.65 -2.48 0.36 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.861 2.064 . . . . 0.0 115.278 172.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -124.71 10.1 8.35 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.296 1.438 . . . . 0.0 112.996 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.31 -42.46 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.311 1.444 . . . . 0.0 110.802 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -18.11 55.5 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.851 1.205 . . . . 0.0 111.66 173.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -64.47 -42.89 95.64 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.796 0.839 . . . . 0.0 112.135 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.96 -34.99 76.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.463 -0.773 . . . . 0.0 112.483 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.598 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.7 mt -64.35 -52.82 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.153 169.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.302 0.4 OUTLIER -60.15 -33.86 72.76 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.185 1.357 . . . . 0.0 112.752 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.7 -36.49 67.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 120.293 1.406 . . . . 0.0 113.847 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.54 -43.56 98.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.161 0.984 . . . . 0.0 111.454 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.28 -34.07 72.34 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.627 -0.671 . . . . 0.0 111.002 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -63.94 -39.64 94.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.594 0.757 . . . . 0.0 112.136 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.358 -0.839 . . . . 0.0 111.609 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.82 -17.36 22.91 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 116.879 -1.534 . . . . 0.0 113.524 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -80.81 -44.45 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 122.188 2.267 . . . . 0.0 109.075 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.1 -34.37 63.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.809 1.244 . . . . 0.0 112.002 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.406 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 36.9 m0 -80.02 -41.87 24.92 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.343 1.057 . . . . 0.0 112.329 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -48.58 80.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.791 0.837 . . . . 0.0 112.253 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -27.95 69.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.463 0.705 . . . . 0.0 112.772 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -33.02 71.0 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.221 -0.924 . . . . 0.0 112.487 171.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.42 -18.51 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 113.46 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 125.536 1.534 . . . . 0.0 112.022 173.056 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 119.706 -0.187 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.37 24.97 1.76 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.984 1.314 . . . . 0.0 114.392 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -63.25 -13.98 44.21 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.91 -37.39 60.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.237 1.015 . . . . 0.0 113.385 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -64.84 -38.73 91.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.904 1.282 . . . . 0.0 112.195 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.82 -42.82 85.22 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.469 1.108 . . . . 0.0 111.733 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.76 -54.48 44.64 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.904 0.882 . . . . 0.0 111.545 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -44.09 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.414 1.885 . . . . 0.0 112.24 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -64.35 -44.35 91.72 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.33 -37.77 80.88 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.463 1.029 . . . . 0.0 112.53 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.78 -40.25 66.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.183 1.793 . . . . 0.0 112.01 165.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.58 -23.03 29.83 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -68.49 -36.87 79.53 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.438 1.017 . . . . 0.0 112.019 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.58 89.03 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.629 0.65 . . . . 0.0 109.618 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.8 tpp -60.67 -41.12 94.42 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.221 0.918 . . . . 0.0 112.837 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -37.47 81.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.251 1.02 . . . . 0.0 111.545 177.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.11 -47.1 86.11 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.618 0.767 . . . . 0.0 112.085 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -61.71 -32.68 72.91 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.737 1.615 . . . . 0.0 113.651 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -53.67 -35.66 61.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.633 1.573 . . . . 0.0 112.855 171.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.65 -35.12 11.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.591 1.556 . . . . 0.0 112.489 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.86 60.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 112.013 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 t -56.58 -30.76 63.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.668 1.587 . . . . 0.0 114.401 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.8 -43.2 47.42 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.72 -1.238 . . . . 0.0 112.073 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -68.56 -34.61 76.12 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.626 -0.671 . . . . 0.0 112.508 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 25.63 0.12 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.869 2.068 . . . . 0.0 114.149 172.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -52.28 -25.65 10.0 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.23 125.82 86.39 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.93 1.292 . . . . 0.0 110.509 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.42 -16.18 42.96 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 123.095 2.53 . . . . 0.0 114.33 -165.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -66.35 -51.62 55.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.466 0.706 . . . . 0.0 110.197 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -64.68 -43.57 93.11 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.419 1.488 . . . . 0.0 111.335 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -69.91 7.54 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -126.64 13.02 7.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.661 1.584 . . . . 0.0 112.718 166.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.66 -48.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.676 1.591 . . . . 0.0 110.735 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -16.59 62.09 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.139 1.336 . . . . 0.0 112.006 169.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -66.85 -39.29 87.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.596 1.158 . . . . 0.0 112.307 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.7 mmpt? -70.04 -33.64 72.23 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.651 -0.656 . . . . 0.0 112.654 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.91 -57.93 9.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.4 mt -48.21 -43.11 31.72 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.677 1.581 . . . . 0.0 113.803 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.76 -38.07 76.62 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -68.79 -34.26 75.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.34 1.456 . . . . 0.0 112.798 171.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.73 -32.48 17.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.951 1.7 . . . . 0.0 109.976 -164.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.91 -37.12 81.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.551 1.141 . . . . 0.0 112.254 159.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -35.36 77.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.049 0.94 . . . . 0.0 112.795 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -63.89 -56.92 11.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.03 1.332 . . . . 0.0 111.734 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 mp -42.87 -44.33 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 126.074 1.75 . . . . 0.0 113.17 163.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -40.09 84.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.027 -1.045 . . . . 0.0 113.087 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -80.8 -38.73 27.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.51 1.124 . . . . 0.0 112.264 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.44 -35.89 60.97 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 125.869 1.668 . . . . 0.0 112.069 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -65.52 -41.4 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.652 0.781 . . . . 0.0 113.069 171.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.0 mt -86.57 -22.35 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.602 1.561 . . . . 0.0 113.231 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -64.8 159.54 22.24 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.283 1.433 . . . . 0.0 113.008 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 C-N-CA 126.144 1.83 . . . . 0.0 112.894 -177.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 42.99 49.81 5.29 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.829 2.052 . . . . 0.0 115.649 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -111.45 -3.55 15.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -36.62 14.86 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -166.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -37.44 68.61 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.036 0.835 . . . . 0.0 111.388 169.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.37 -39.51 87.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.819 1.248 . . . . 0.0 112.744 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.01 -58.07 4.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -43.51 76.83 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.459 2.304 . . . . 0.0 112.562 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.83 -45.85 76.97 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -38.42 91.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.993 0.815 . . . . 0.0 112.371 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -42.47 69.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.571 1.548 . . . . 0.0 112.916 168.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -85.56 -23.79 27.49 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.81 -25.25 66.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.45 -0.781 . . . . 0.0 111.917 171.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -51.03 17.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.285 0.948 . . . . 0.0 110.019 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -50.5 -43.57 55.7 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.712 1.142 . . . . 0.0 113.125 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.96 -33.96 68.59 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.059 -1.026 . . . . 0.0 112.946 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.17 -40.26 95.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.197 0.453 . . . . 0.0 111.084 168.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.36 -33.06 74.98 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.685 1.594 . . . . 0.0 112.977 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -61.08 -49.98 75.13 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.791 1.178 . . . . 0.0 113.16 168.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.99 -40.26 63.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.727 0.811 . . . . 0.0 111.947 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.6 -38.8 72.54 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.878 0.871 . . . . 0.0 111.713 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.99 -34.64 76.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.752 1.16 . . . . 0.0 113.297 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.01 -41.83 99.66 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.09 -1.006 . . . . 0.0 112.352 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -73.84 -43.66 57.99 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.593 1.157 . . . . 0.0 112.324 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.71 26.98 0.17 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.582 2.353 . . . . 0.0 114.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -56.09 -18.34 9.49 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.76 134.37 86.54 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.518 1.527 . . . . 0.0 111.501 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.04 -22.34 55.13 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.125 2.55 . . . . 0.0 114.713 -168.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.06 -61.8 2.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.665 1.186 . . . . 0.0 111.436 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.09 -38.89 75.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.763 0.825 . . . . 0.0 111.981 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.14 -18.65 49.12 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -108.04 9.41 28.45 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.771 1.228 . . . . 0.0 113.813 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -114.58 -43.9 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.565 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -18.99 61.49 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.649 1.113 . . . . 0.0 112.011 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.33 -32.56 74.03 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 112.917 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.07 -42.6 66.01 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.428 -0.795 . . . . 0.0 111.241 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.91 -46.72 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 118.793 -0.623 . . . . 0.0 110.113 168.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.13 -46.52 68.83 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.954 1.252 . . . . 0.0 112.628 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.22 -37.09 77.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -61.31 -40.6 94.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.635 1.174 . . . . 0.0 112.15 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.54 -38.73 71.02 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.267 -0.896 . . . . 0.0 111.116 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.72 -35.98 75.64 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.554 -0.716 . . . . 0.0 111.456 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -59.22 -47.17 86.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.284 1.034 . . . . 0.0 112.114 170.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -63.25 -42.31 99.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.512 1.051 . . . . 0.0 111.935 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.63 -37.92 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.635 1.174 . . . . 0.0 111.465 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.92 -48.24 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.48 1.036 . . . . 0.0 111.901 170.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -69.84 -40.4 75.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.167 0.587 . . . . 0.0 111.947 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.88 -41.93 75.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.619 1.567 . . . . 0.0 111.92 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.9 -45.3 82.5 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.4 m -59.11 -27.69 65.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.087 0.955 . . . . 0.0 113.431 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.75 -18.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 0.0 113.786 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -67.01 145.82 55.0 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.044 0.937 . . . . 0.0 111.879 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.276 -1.291 . . . . 0.0 113.292 -179.516 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.64 -34.62 74.54 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -165.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' B' ' 24' ' ' LYS . 29.0 p90 -145.8 20.99 1.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -174.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt -121.04 -48.24 2.24 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.855 1.262 . . . . 0.0 111.935 -170.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -31.29 72.08 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.367 0.667 . . . . 0.0 111.604 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.27 -38.71 87.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.895 1.278 . . . . 0.0 112.854 171.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.553 HD23 HD13 ' B' ' 17' ' ' LEU . 76.5 mt -67.07 -52.19 45.21 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.29 1.036 . . . . 0.0 111.02 176.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -44.82 -47.28 10.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 112.748 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -66.45 -43.26 86.04 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -71.52 -31.48 67.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.896 0.878 . . . . 0.0 112.684 172.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.2 -39.73 72.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.604 1.562 . . . . 0.0 111.911 163.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -78.25 -24.75 46.76 Favored 'General case' 0 C--N 1.342 0.283 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -61.37 -34.0 74.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.514 1.052 . . . . 0.0 112.061 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.38 78.36 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.845 0.748 . . . . 0.0 111.021 171.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.46 89.66 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.289 0.95 . . . . 0.0 112.772 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -42.74 88.65 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.097 0.959 . . . . 0.0 111.782 174.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 112.268 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.04 -34.8 73.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.26 1.424 . . . . 0.0 113.487 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.08 67.28 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 174.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -92.74 -37.02 12.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.266 1.426 . . . . 0.0 112.52 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.08 72.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.029 0.932 . . . . 0.0 112.299 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -62.7 -36.06 81.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -75.07 -37.8 61.48 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.347 -0.846 . . . . 0.0 112.342 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.92 -40.57 98.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.576 1.15 . . . . 0.0 112.453 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -65.08 0.72 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.679 1.192 . . . . 0.0 112.106 173.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 44.29 23.48 0.07 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.254 2.221 . . . . 0.0 115.468 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -130.73 132.59 24.03 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.083 1.753 . . . . 0.0 109.731 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.37 -25.27 42.25 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.77 2.313 . . . . 0.0 114.179 -164.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.18 -51.51 68.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.577 0.751 . . . . 0.0 111.456 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HE2' HD12 ' B' ' 51' ' ' ILE . 12.8 mmtp -63.53 -42.3 98.45 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.712 1.205 . . . . 0.0 111.557 171.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -63.96 -8.89 12.83 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -114.21 12.24 17.68 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.409 1.484 . . . . 0.0 113.386 170.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -120.08 -37.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.768 1.627 . . . . 0.0 111.612 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -19.9 48.49 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.935 1.243 . . . . 0.0 112.325 168.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -65.57 -40.6 92.96 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.052 -1.03 . . . . 0.0 112.594 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HE3' ' CE3' ' B' ' 47' ' ' TRP . 50.7 pttt -65.13 -32.16 73.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.415 HG23 ' CE1' ' B' ' 44' ' ' HIS . 76.9 mt -69.12 -47.33 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.834 168.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.33 -39.47 72.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.97 1.259 . . . . 0.0 113.235 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.6 -33.2 70.78 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.88 -41.25 91.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.93 -36.9 70.06 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.048 -1.032 . . . . 0.0 111.2 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.76 -35.32 79.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.442 -0.787 . . . . 0.0 111.761 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.28 98.46 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.621 -0.675 . . . . 0.0 111.981 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' B' ' 37' ' ' ILE . 54.1 m170 -61.68 -44.78 96.29 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.909 0.883 . . . . 0.0 111.466 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.89 -38.66 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.922 0.889 . . . . 0.0 112.114 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -46.31 85.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.14 1.336 . . . . 0.0 112.092 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 16.0 m0 -73.34 -41.3 63.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.789 -0.57 . . . . 0.0 111.896 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.95 -45.14 87.1 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.344 1.458 . . . . 0.0 111.551 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.27 -43.9 97.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.401 0.68 . . . . 0.0 111.972 172.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -60.59 -29.14 69.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.74 0.816 . . . . 0.0 113.189 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.2 -23.17 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.0 1.72 . . . . 0.0 113.501 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -76.16 170.43 16.32 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.64 1.576 . . . . 0.0 112.458 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.509 1.528 . . . . 0.0 112.632 178.269 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 54.98 42.95 30.62 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.504 1.121 . . . . 0.0 112.911 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -51.08 -36.3 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -166.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.87 -11.4 37.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 127.54 2.336 . . . . 0.0 116.314 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -107.52 -39.53 5.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.933 2.093 . . . . 0.0 108.63 -167.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.39 -51.04 61.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.804 157.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.309 0.1 OUTLIER -62.7 -47.31 84.16 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -41.65 62.79 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.293 1.837 . . . . 0.0 112.392 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.87 -50.68 65.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -37.74 84.74 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 170.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.76 -35.07 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.72 1.208 . . . . 0.0 112.9 166.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -90.69 -24.05 20.55 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -68.54 -33.39 74.02 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.075 -1.015 . . . . 0.0 111.598 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.93 93.69 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.683 0.674 . . . . 0.0 110.297 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -62.76 -43.51 98.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -61.79 -40.83 96.58 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.476 -0.765 . . . . 0.0 112.334 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 7' ' ' LEU . 1.4 mt -60.21 -42.31 94.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 169.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.403 ' HB3' HD21 ' B' ' 38' ' ' LEU . 4.3 m-85 -65.53 -31.59 72.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.299 1.44 . . . . 0.0 113.324 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -58.67 -49.07 78.91 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 111.545 170.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -71.58 -40.96 69.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.29 0.636 . . . . 0.0 112.192 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -32.63 61.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.933 172.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -64.34 -33.37 75.7 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.604 1.093 . . . . 0.0 113.271 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -71.32 -40.04 71.02 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.046 -1.034 . . . . 0.0 112.354 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -64.81 -43.3 93.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.336 0.655 . . . . 0.0 111.094 171.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.78 36.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.237 2.615 . . . . 0.0 113.836 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -55.96 -22.28 25.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.53 133.85 95.82 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.192 1.397 . . . . 0.0 111.31 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.5 -18.86 49.22 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.265 2.643 . . . . 0.0 114.542 -171.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.2 -58.87 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.069 0.85 . . . . 0.0 110.323 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -59.61 -42.33 92.38 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.372 1.069 . . . . 0.0 111.093 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -63.68 -4.22 2.88 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 18.6 m -118.9 9.31 11.92 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 113.433 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -113.74 -47.49 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.469 1.507 . . . . 0.0 110.21 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -19.84 60.96 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.469 1.032 . . . . 0.0 111.677 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.11 -32.38 73.48 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.372 -0.83 . . . . 0.0 112.841 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -70.0 -41.41 74.39 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.431 -0.793 . . . . 0.0 111.871 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.583 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.5 mt -61.91 -48.4 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.67 0.788 . . . . 0.0 109.581 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' B' ' 18' ' ' TYR . 17.5 mt -52.48 -45.37 66.13 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.606 1.094 . . . . 0.0 112.393 175.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.35 -40.0 77.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -62.09 -39.73 93.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 112.318 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 35.6 mm-40 -71.67 -38.48 70.63 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.607 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.07 -38.82 80.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.429 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -57.76 -46.61 84.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.66 1.184 . . . . 0.0 112.301 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.415 ' CE1' HG23 ' A' ' 37' ' ' ILE . 53.8 m170 -61.95 -42.03 98.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.155 0.982 . . . . 0.0 111.933 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -36.93 78.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.251 1.02 . . . . 0.0 111.602 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.21 -46.32 86.06 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.871 1.669 . . . . 0.0 112.045 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.531 ' CE3' ' HE3' ' A' ' 36' ' ' LYS . 18.8 m0 -72.35 -40.87 67.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.49 0.716 . . . . 0.0 111.823 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.86 -44.48 86.61 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.443 1.497 . . . . 0.0 112.18 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.44 -43.95 97.58 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.21 0.604 . . . . 0.0 111.77 170.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -61.23 -28.39 69.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HE2' ' A' ' 30' ' ' LYS . 32.6 mm -93.49 -21.22 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.563 1.545 . . . . 0.0 113.695 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -83.0 60.06 5.25 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.461 1.505 . . . . 0.0 112.271 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 C-N-CA 125.278 1.418 . . . . 0.0 112.915 179.746 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.548 0.214 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.8 59.56 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.857 1.663 . . . . 0.0 112.658 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.95 -25.01 0.62 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.23 -32.9 74.8 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.539 1.135 . . . . 0.0 113.605 -166.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.61 -34.25 64.95 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.516 1.126 . . . . 0.0 111.939 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.7 -40.69 97.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.557 1.143 . . . . 0.0 111.334 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.12 -55.08 39.54 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.082 0.953 . . . . 0.0 111.399 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.44 84.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.092 2.557 . . . . 0.0 113.684 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -66.64 -54.11 26.85 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.494 -0.754 . . . . 0.0 112.838 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.33 -31.98 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.815 0.846 . . . . 0.0 113.043 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.585 ' OE1' ' OE2' ' B' ' 41' ' ' GLU . 2.1 mm-40 -57.68 -40.49 79.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.266 1.027 . . . . 0.0 112.9 165.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.82 -19.07 31.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -64.17 -37.79 88.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.221 -0.924 . . . . 0.0 111.601 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.79 95.07 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.216 0.462 . . . . 0.0 110.287 170.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.86 0.864 . . . . 0.0 113.219 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -63.2 -45.0 93.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.737 0.699 . . . . 0.0 111.61 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.924 HD22 HD11 ' B' ' 7' ' ' LEU . 1.1 mt -58.78 -45.79 89.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 172.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HD1' HD12 ' A' ' 34' ' ' LEU . 8.1 m-85 -59.32 -41.56 89.4 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.469 1.907 . . . . 0.0 112.887 177.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -64.86 -31.41 72.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.099 0.863 . . . . 0.0 112.827 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -87.36 -38.73 15.93 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.504 1.121 . . . . 0.0 112.313 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.93 75.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.823 0.849 . . . . 0.0 111.777 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -27.4 68.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.364 1.065 . . . . 0.0 113.625 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.27 -48.1 45.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.176 -0.953 . . . . 0.0 111.377 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -66.62 -46.5 75.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.369 0.668 . . . . 0.0 111.533 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.92 44.63 0.94 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.032 1.733 . . . . 0.0 112.608 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -15.55 27.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -63.85 132.94 95.4 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 126.457 1.903 . . . . 0.0 111.319 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.77 -18.14 57.66 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.627 2.885 . . . . 0.0 114.526 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.86 -29.34 69.47 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.181 0.901 . . . . 0.0 113.005 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.37 -36.39 5.8 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.055 1.742 . . . . 0.0 113.009 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -65.49 -3.99 5.2 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 m -116.85 12.83 14.88 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.996 1.319 . . . . 0.0 113.351 168.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' B' ' 51' ' ' ILE . 29.4 t -117.63 -50.38 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.937 1.695 . . . . 0.0 110.194 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' HD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -69.12 -19.2 64.04 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.259 0.936 . . . . 0.0 111.746 171.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -61.5 -34.82 76.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.059 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 0.1 OUTLIER -74.37 -41.11 61.56 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.193 0.997 . . . . 0.0 111.824 -177.211 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.42 HG13 ' CE3' ' B' ' 47' ' ' TRP . 78.6 mt -64.0 -45.17 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.373 0.669 . . . . 0.0 109.526 167.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 18' ' ' TYR . 17.3 mt -54.76 -39.79 68.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.086 1.312 . . . . 0.0 113.088 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.28 0.946 . . . . 0.0 112.399 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.558 ' HB2' ' HE2' ' B' ' 44' ' ' HIS . 27.4 m-20 -60.78 -38.99 87.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 0.0 112.325 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.904 ' OE2' ' CE1' ' B' ' 44' ' ' HIS . 51.6 mm-40 -76.18 -38.3 56.76 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.922 -1.111 . . . . 0.0 111.323 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.64 -35.84 75.19 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.442 -0.786 . . . . 0.0 111.539 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -63.66 -39.78 95.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.9 0.88 . . . . 0.0 112.539 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.803 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 56.0 m170 -63.68 -48.23 78.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 119.513 1.052 . . . . 0.0 111.595 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.02 -37.4 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.389 0.675 . . . . 0.0 112.044 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.07 -49.02 74.98 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.521 1.055 . . . . 0.0 112.682 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CH2' ' HB3' ' B' ' 36' ' ' LYS . 33.2 m0 -72.22 -39.88 68.19 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.535 -0.728 . . . . 0.0 112.258 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.19 -28.22 51.48 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.822 1.649 . . . . 0.0 113.375 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -40.61 15.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.827 0.851 . . . . 0.0 110.534 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -57.29 -25.72 59.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 0.0 112.775 170.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.437 HD11 HG11 ' B' ' 33' ' ' VAL . 69.9 mt -94.1 -5.8 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 126.939 2.095 . . . . 0.0 112.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -129.57 56.78 1.69 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.179 1.792 . . . . 0.0 112.517 -169.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 C-N-CA 125.233 1.396 . . . . 0.0 113.933 172.474 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.161 0.505 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -156.69 169.05 25.6 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.91 1.684 . . . . 0.0 109.854 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 46.52 67.42 0.77 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.712 1.605 . . . . 0.0 113.321 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.55 -62.02 0.53 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.955 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -59.35 -29.0 67.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.327 1.051 . . . . 0.0 113.042 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -71.3 -48.38 51.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.473 1.109 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 17' ' ' LEU . 9.9 mp -64.87 -47.4 77.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.237 1.415 . . . . 0.0 112.227 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -45.54 -37.2 5.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.968 2.507 . . . . 0.0 114.548 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.19 -55.38 12.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.85 -36.05 81.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.309 1.044 . . . . 0.0 112.261 171.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.29 -39.49 75.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.156 1.383 . . . . 0.0 111.839 170.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -85.95 -19.81 29.89 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.44 -34.68 78.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.015 0.825 . . . . 0.0 112.229 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -43.05 77.77 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 118.664 0.665 . . . . 0.0 110.31 171.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.01 -40.71 94.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.352 0.978 . . . . 0.0 112.67 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -64.06 -41.01 97.5 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.283 -0.886 . . . . 0.0 112.338 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.67 -44.36 96.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.134 0.574 . . . . 0.0 112.126 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' B' ' 38' ' ' LEU . 10.4 m-85 -63.96 -34.01 77.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.97 0.908 . . . . 0.0 112.942 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -39.78 27.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.805 0.73 . . . . 0.0 112.525 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.45 66.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.569 1.148 . . . . 0.0 112.082 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.1 t -60.91 -34.44 74.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.231 1.012 . . . . 0.0 112.912 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -72.11 -42.74 65.74 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.988 -1.07 . . . . 0.0 112.04 173.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -30.06 67.02 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.708 1.203 . . . . 0.0 113.339 169.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 39.04 3.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.581 1.952 . . . . 0.0 112.739 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -20.09 5.97 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.42 134.92 85.38 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.168 1.387 . . . . 0.0 111.917 171.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.45 -23.16 51.04 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.062 2.508 . . . . 0.0 114.381 -172.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.01 -56.03 25.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.615 0.766 . . . . 0.0 112.116 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -67.89 -37.23 81.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.616 0.767 . . . . 0.0 112.448 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -62.2 -2.58 1.01 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.3 t -122.18 19.7 10.67 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 112.942 168.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 51' ' ' ILE . 42.9 t -126.15 -47.87 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.672 1.989 . . . . 0.0 110.649 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -19.4 62.54 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.586 1.085 . . . . 0.0 111.255 169.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -67.95 -33.24 74.29 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 112.63 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.792 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 9.0 mmtp -68.55 -39.99 80.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.479 0.711 . . . . 0.0 112.632 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.446 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 70.4 mt -64.18 -48.56 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.179 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 18' ' ' TYR . 23.9 mt -53.26 -41.65 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.101 1.319 . . . . 0.0 113.005 176.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.29 -46.42 80.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.06 0.845 . . . . 0.0 113.23 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.803 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 26.5 m-20 -59.02 -41.88 88.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.54 1.136 . . . . 0.0 111.933 173.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.643 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 45.0 mm-40 -74.47 -39.07 62.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 111.016 -176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.63 -36.59 79.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.582 -0.699 . . . . 0.0 111.569 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -63.15 -42.86 99.54 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.309 0.644 . . . . 0.0 112.488 173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.963 ' CD2' HG23 ' A' ' 37' ' ' ILE . 52.5 m170 -60.38 -46.3 90.45 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.311 0.96 . . . . 0.0 111.602 174.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.94 -40.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.982 0.913 . . . . 0.0 110.946 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.86 -43.32 90.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.652 0.66 . . . . 0.0 112.044 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 1.42 ' CE3' HG13 ' A' ' 37' ' ' ILE . 24.8 m0 -72.83 -42.1 64.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.829 0.852 . . . . 0.0 111.958 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.59 -43.16 84.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.724 1.61 . . . . 0.0 112.237 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -40.18 77.04 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.592 0.757 . . . . 0.0 111.841 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.2 m -59.9 -29.82 68.61 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.515 -0.741 . . . . 0.0 112.9 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 41.7 mt -91.08 -12.16 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.75 2.02 . . . . 0.0 113.14 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -73.02 129.51 38.26 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.837 1.255 . . . . 0.0 112.161 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.591 1.567 . . . . 0.0 112.856 178.714 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . 0.643 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.0 164.36 12.92 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.972 0.909 . . . . 0.0 112.598 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -119.96 -9.57 9.63 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -166.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD21 ' HZ1' ' B' ' 30' ' ' LYS . 2.4 mt -68.64 -46.69 68.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.482 -0.761 . . . . 0.0 111.87 -168.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -56.6 -33.45 66.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.409 1.484 . . . . 0.0 112.975 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.02 -47.02 84.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.919 0.887 . . . . 0.0 112.22 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.21 -55.58 23.8 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 112.235 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.57 45.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.687 2.395 . . . . 0.0 112.596 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -67.11 -43.5 82.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.19 -35.78 78.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.766 0.826 . . . . 0.0 112.68 173.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -43.31 67.33 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.494 1.517 . . . . 0.0 112.124 164.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.85 -21.74 43.77 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.21 -35.58 81.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.924 1.238 . . . . 0.0 111.984 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.08 67.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.105 0.866 . . . . 0.0 110.734 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 tpt -57.4 -40.41 78.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.33 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -41.59 79.46 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.877 -1.139 . . . . 0.0 110.431 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.46 -42.96 97.27 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.423 0.689 . . . . 0.0 111.82 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 7.1 m-85 -59.71 -37.62 79.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.121 1.768 . . . . 0.0 113.858 173.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.14 -41.98 89.58 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.951 0.9 . . . . 0.0 112.673 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -94.9 -27.89 15.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.352 1.061 . . . . 0.0 113.591 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.02 70.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.692 1.197 . . . . 0.0 111.65 166.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -57.04 -31.56 65.28 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 169.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.58 -39.99 84.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.0 -1.062 . . . . 0.0 112.418 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -49.95 56.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.198 0.599 . . . . 0.0 110.816 171.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.63 34.92 0.06 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 128.211 2.605 . . . . 0.0 114.195 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -57.3 -23.76 50.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.086 1.754 . . . . 0.0 114.441 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.33 129.05 93.04 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.741 1.217 . . . . 0.0 110.552 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.35 -21.65 60.91 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.143 2.562 . . . . 0.0 114.187 -170.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.76 -46.79 80.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.967 0.803 . . . . 0.0 111.717 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -34.39 64.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.815 1.646 . . . . 0.0 112.165 171.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -59.33 -48.79 80.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.803 0.841 . . . . 0.0 110.819 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -77.64 7.96 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.39 -53.21 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.77 1.228 . . . . 0.0 110.395 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -68.15 -21.92 64.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.138 1.335 . . . . 0.0 112.606 174.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.86 -33.0 74.71 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.519 1.054 . . . . 0.0 113.257 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -68.08 -38.75 82.73 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.668 1.122 . . . . 0.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' A' ' 18' ' ' TYR . 82.8 mt -61.42 -52.46 60.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.29 165.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.328 0.2 OUTLIER -56.19 -35.24 67.04 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.16 1.8 . . . . 0.0 112.872 -178.28 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.1 -42.87 83.84 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.166 -0.959 . . . . 0.0 113.493 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -63.34 -36.68 84.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.021 1.328 . . . . 0.0 112.451 171.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -84.36 -33.37 23.85 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.162 0.985 . . . . 0.0 110.516 -165.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.85 -36.12 78.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.109 0.964 . . . . 0.0 112.219 164.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.9 -37.51 87.88 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.033 0.933 . . . . 0.0 112.964 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -60.74 -42.97 98.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.434 1.094 . . . . 0.0 112.139 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.81 -36.29 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.21 1.004 . . . . 0.0 111.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.84 -43.17 99.39 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.152 1.342 . . . . 0.0 112.688 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -69.96 -41.44 74.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.449 0.699 . . . . 0.0 111.771 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.26 -41.79 72.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.326 1.45 . . . . 0.0 111.405 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -63.53 -47.55 81.17 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.836 0.854 . . . . 0.0 112.467 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -57.43 -26.56 61.35 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.52 -10.74 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.236 1.814 . . . . 0.0 113.906 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.64 57.09 1.04 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.025 1.33 . . . . 0.0 111.794 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 C-N-CA 125.222 1.391 . . . . 0.0 113.804 171.832 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 119.906 -0.092 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -91.94 76.63 5.5 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.033 1.733 . . . . 0.0 113.181 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -134.84 32.62 3.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.911 1.284 . . . . 0.0 113.917 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.67 -50.71 0.98 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -57.51 -43.0 83.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.803 1.183 . . . . 0.0 111.216 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.32 -47.43 81.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.024 1.33 . . . . 0.0 112.573 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.41 -56.96 12.05 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.988 1.315 . . . . 0.0 111.198 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -45.06 68.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.736 2.014 . . . . 0.0 112.663 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -68.88 -39.13 79.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.8 -40.09 76.18 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.833 0.853 . . . . 0.0 112.414 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -38.6 56.19 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.434 1.494 . . . . 0.0 111.612 166.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -85.56 -26.41 26.18 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -69.07 -38.84 79.25 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.224 -0.922 . . . . 0.0 111.522 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.79 86.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.54 0.609 . . . . 0.0 110.592 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.0 tpt -63.87 -42.48 97.51 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.884 0.766 . . . . 0.0 112.369 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.59 -45.64 81.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.324 0.65 . . . . 0.0 111.643 168.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.26 -40.69 91.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.505 1.522 . . . . 0.0 113.829 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -59.67 -41.63 91.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.392 1.077 . . . . 0.0 112.56 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.32 -38.31 26.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.01 0.924 . . . . 0.0 112.987 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.2 65.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.658 -0.686 . . . . 0.0 112.029 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -59.29 -32.17 69.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.835 1.198 . . . . 0.0 113.14 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.12 -44.45 47.05 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.108 -0.995 . . . . 0.0 111.918 170.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -65.05 -27.86 69.08 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.593 1.157 . . . . 0.0 113.753 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.89 31.71 3.76 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.866 2.466 . . . . 0.0 112.58 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -13.58 3.78 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -169.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -58.7 127.25 82.19 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.376 1.07 . . . . 0.0 109.949 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.02 -26.39 73.84 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.797 2.332 . . . . 0.0 113.834 -171.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.0 -49.39 77.0 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.134 0.973 . . . . 0.0 112.261 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.49 ' HZ1' HD21 ' A' ' 4' ' ' LEU . 60.2 tttt -81.18 -40.34 24.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.15 1.78 . . . . 0.0 112.533 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -58.31 -24.61 60.16 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -98.2 5.84 48.06 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.68 -46.93 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.22 1.408 . . . . 0.0 110.51 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.6 OUTLIER -68.76 -19.3 64.32 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.654 1.115 . . . . 0.0 112.752 172.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.74 -41.31 95.11 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.99 -35.67 78.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.32 0.963 . . . . 0.0 112.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.95 -51.36 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.441 169.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.292 0.3 OUTLIER -61.17 -35.03 76.02 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.671 1.123 . . . . 0.0 112.391 -177.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.18 -40.16 78.27 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.114 -0.991 . . . . 0.0 112.928 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.03 -38.12 87.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.293 1.037 . . . . 0.0 112.112 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -70.97 -38.92 72.79 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.186 -0.946 . . . . 0.0 111.321 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.26 -38.02 73.25 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.505 -0.747 . . . . 0.0 111.661 171.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -67.36 -39.06 85.69 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -62.58 -45.95 90.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 119.809 1.186 . . . . 0.0 111.373 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.96 -39.89 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 112.12 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -55.48 -49.01 73.64 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.693 1.133 . . . . 0.0 111.811 172.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -72.31 -37.79 68.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.944 0.498 . . . . 0.0 112.011 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.76 -44.32 81.67 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.816 1.646 . . . . 0.0 112.443 172.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.59 -43.64 96.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.137 0.575 . . . . 0.0 112.094 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -61.87 -30.59 70.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.256 1.022 . . . . 0.0 112.526 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -86.95 -13.64 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.054 1.741 . . . . 0.0 113.441 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -106.79 69.01 0.75 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.389 1.475 . . . . 0.0 111.821 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.744 1.64 . . . . 0.0 112.84 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.5 mtp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.484 0.183 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.34 16.08 10.55 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.656 1.583 . . . . 0.0 114.348 -163.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -59.38 -25.59 64.4 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.21 -36.74 84.64 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -70.38 -40.14 74.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.558 0.743 . . . . 0.0 111.53 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.93 -40.04 87.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.766 1.226 . . . . 0.0 111.245 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 0.1 OUTLIER -63.02 -56.15 19.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.387 1.875 . . . . 0.0 111.376 175.245 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -41.62 68.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.378 2.271 . . . . 0.0 112.771 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.33 -47.55 70.17 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.88 -37.71 85.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.72 0.808 . . . . 0.0 112.324 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -37.67 70.23 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.81 1.644 . . . . 0.0 113.466 168.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -86.08 -20.94 28.0 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.27 -31.32 72.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 118.385 -0.816 . . . . 0.0 112.538 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.77 64.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.943 1.247 . . . . 0.0 111.837 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 mtp -63.17 -42.27 99.36 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.634 1.106 . . . . 0.0 112.694 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -64.34 -40.99 96.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.708 0.803 . . . . 0.0 111.159 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.4 -45.32 94.83 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.593 1.157 . . . . 0.0 112.375 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.4 m-85 -61.46 -33.01 73.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.639 1.175 . . . . 0.0 113.279 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -39.99 73.9 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.149 1.38 . . . . 0.0 111.914 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -88.62 -37.83 15.31 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.734 1.214 . . . . 0.0 113.067 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -29.74 60.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.708 0.803 . . . . 0.0 112.253 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -57.79 -36.18 71.83 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.427 1.091 . . . . 0.0 113.093 170.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.2 -42.67 72.07 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.152 -0.968 . . . . 0.0 112.355 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -38.88 88.35 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 113.156 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.02 24.89 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.989 2.116 . . . . 0.0 114.29 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.81 1.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -68.48 131.43 91.62 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.927 1.691 . . . . 0.0 111.618 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.65 -28.78 77.07 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.257 2.638 . . . . 0.0 114.428 -167.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.76 -27.56 51.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.644 1.578 . . . . 0.0 114.449 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -31.77 5.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.636 1.975 . . . . 0.0 113.201 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.83 -29.54 62.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.888 0.875 . . . . 0.0 113.167 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -96.87 10.63 38.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.798 1.239 . . . . 0.0 114.076 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.08 -48.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.944 1.298 . . . . 0.0 110.21 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -22.48 64.86 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.498 1.044 . . . . 0.0 112.659 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.6 -33.46 75.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.035 0.934 . . . . 0.0 112.985 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -73.76 -37.09 65.14 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.438 -0.788 . . . . 0.0 112.351 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.42 -52.36 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 117.865 -1.064 . . . . 0.0 108.932 166.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 18' ' ' TYR . 19.2 mt -48.31 -42.18 30.31 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.138 1.335 . . . . 0.0 112.837 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.29 -39.16 82.18 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -68.51 -34.31 75.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.337 1.855 . . . . 0.0 113.134 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -39.11 23.34 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.436 1.894 . . . . 0.0 108.049 -169.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.81 -35.23 74.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 112.457 164.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -62.53 -42.48 99.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.52 -0.737 . . . . 0.0 111.847 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -61.64 -44.24 97.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.92 0.888 . . . . 0.0 111.364 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.15 -39.07 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 112.04 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.787 1.176 . . . . 0.0 112.802 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -72.3 -41.32 66.76 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.557 0.743 . . . . 0.0 111.468 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.53 -39.25 70.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.939 1.696 . . . . 0.0 112.307 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.92 -47.18 81.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.929 0.892 . . . . 0.0 112.048 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -17.88 64.28 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.4 mt -91.18 -13.97 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.52 1.928 . . . . 0.0 113.468 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -115.48 25.0 11.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.923 1.289 . . . . 0.0 113.842 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.234 0 CA-C-O 118.184 -1.342 . . . . 0.0 113.732 169.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -146.79 117.14 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.583 1.083 . . . . 0.0 111.455 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -170.81 35.25 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.482 1.913 . . . . 0.0 112.627 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.75 -59.64 1.2 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -173.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -60.92 -33.95 73.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.964 1.256 . . . . 0.0 112.081 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.78 -48.58 66.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.303 1.441 . . . . 0.0 112.197 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.69 -51.16 36.97 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.609 1.564 . . . . 0.0 112.274 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -40.94 60.24 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.516 1.927 . . . . 0.0 112.314 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -60.56 -52.36 65.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.07 -36.34 81.81 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.838 0.855 . . . . 0.0 111.779 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.2 -34.77 61.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.015 164.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -93.24 -21.75 19.43 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.188 -0.945 . . . . 0.0 111.501 170.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.35 92.33 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.612 0.642 . . . . 0.0 110.369 169.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -60.43 -42.02 95.2 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.324 1.05 . . . . 0.0 112.841 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -40.47 86.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.385 -0.822 . . . . 0.0 112.838 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.88 -44.35 94.24 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 5.7 m-85 -59.42 -42.01 90.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.163 2.185 . . . . 0.0 113.589 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -59.74 -42.85 94.09 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.347 1.059 . . . . 0.0 112.329 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.73 -33.94 27.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.979 0.912 . . . . 0.0 112.806 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.76 71.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.241 1.016 . . . . 0.0 111.186 168.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -57.56 -32.71 67.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.266 1.026 . . . . 0.0 113.186 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.46 -44.74 70.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.284 -0.885 . . . . 0.0 112.249 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -65.78 -41.67 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.26 0.624 . . . . 0.0 112.3 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.62 28.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.789 2.436 . . . . 0.0 113.496 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -14.1 45.07 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.63 126.76 83.64 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.288 1.035 . . . . 0.0 109.754 167.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.33 -18.59 55.55 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.065 2.51 . . . . 0.0 114.229 -168.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -62.02 -56.28 20.6 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.351 0.978 . . . . 0.0 110.649 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -69.34 -40.72 77.38 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.349 1.46 . . . . 0.0 112.248 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -57.78 -20.83 38.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.742 1.217 . . . . 0.0 113.683 173.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -105.69 8.83 33.2 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.787 1.235 . . . . 0.0 113.967 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.1 t -114.31 -44.44 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.327 1.451 . . . . 0.0 110.811 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -17.37 62.48 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.868 1.213 . . . . 0.0 112.171 172.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -36.85 83.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.314 1.046 . . . . 0.0 113.255 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.16 -40.09 78.38 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.825 -0.547 . . . . 0.0 111.965 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.487 HG21 ' CZ ' ' B' ' 18' ' ' TYR . 65.3 mt -65.27 -46.5 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.79 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.86 -42.79 65.55 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.617 1.098 . . . . 0.0 112.491 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -69.86 -40.66 75.62 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.81 -39.63 89.68 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.539 1.135 . . . . 0.0 112.306 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -73.84 -37.35 64.85 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.026 -1.046 . . . . 0.0 111.322 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.61 -36.98 77.37 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.653 -0.654 . . . . 0.0 111.553 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -62.71 -43.72 98.08 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.87 0.868 . . . . 0.0 112.275 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -63.47 -46.26 87.0 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.4 1.0 . . . . 0.0 111.989 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.21 -39.64 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.829 0.852 . . . . 0.0 112.178 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.7 -43.97 90.18 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.865 1.211 . . . . 0.0 112.932 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -74.29 -39.27 63.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.52 0.728 . . . . 0.0 111.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.28 -41.23 72.0 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.336 1.454 . . . . 0.0 111.817 171.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.71 -46.81 80.74 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -21.46 66.75 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 29.2 mm -92.92 -18.48 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.856 1.662 . . . . 0.0 113.594 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -70.36 141.94 52.19 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.116 0.967 . . . . 0.0 111.907 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 C-N-CA 125.847 1.689 . . . . 0.0 112.756 177.514 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtm . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.816 -0.611 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.71 64.19 1.21 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.001 1.32 . . . . 0.0 113.132 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.953 ' HE1' HD22 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -149.15 49.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.792 1.637 . . . . 0.0 110.388 -169.156 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -139.17 -46.6 0.47 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.96 -36.33 83.61 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.587 1.085 . . . . 0.0 111.227 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.04 -41.38 74.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.363 1.465 . . . . 0.0 112.051 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.649 HD23 HD13 ' B' ' 17' ' ' LEU . 69.5 mt -73.26 -53.38 11.02 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.793 0.837 . . . . 0.0 111.823 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.83 -40.69 10.16 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.434 2.294 . . . . 0.0 112.407 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -70.29 -50.5 38.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -30.78 71.62 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.89 -40.37 80.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.174 1.389 . . . . 0.0 111.039 164.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -75.82 -23.63 55.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.22 -33.68 76.37 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 111.855 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.63 84.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.535 167.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mmt -61.9 -41.28 97.71 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.553 1.069 . . . . 0.0 113.708 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.6 -38.68 87.5 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.526 -0.734 . . . . 0.0 111.659 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 7' ' ' LEU . 1.8 mt -60.74 -43.21 98.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 167.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.9 -32.53 74.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.69 1.596 . . . . 0.0 113.798 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -58.03 -44.84 87.59 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.651 1.114 . . . . 0.0 112.149 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.63 -37.16 50.68 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.01 65.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.254 1.022 . . . . 0.0 112.496 172.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -62.42 -35.74 80.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 112.97 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.95 -38.37 53.44 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.836 -1.165 . . . . 0.0 112.652 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -60.97 -34.83 75.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.062 0.945 . . . . 0.0 112.221 171.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.92 -66.53 0.56 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.546 1.139 . . . . 0.0 112.324 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 41.51 27.63 0.06 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.161 2.184 . . . . 0.0 115.153 -167.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -128.58 132.24 24.24 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.353 1.861 . . . . 0.0 110.398 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.35 -19.78 32.88 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.118 2.545 . . . . 0.0 114.461 -167.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.92 -55.92 12.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.548 1.067 . . . . 0.0 110.546 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HE2' HG12 ' B' ' 51' ' ' ILE . 5.0 tmtt? -61.99 -38.63 89.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.355 1.462 . . . . 0.0 111.794 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 36.0 tttt -64.44 -4.58 4.08 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -118.27 13.7 13.73 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.383 1.473 . . . . 0.0 113.168 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -114.92 -50.26 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.577 1.551 . . . . 0.0 110.151 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -69.17 -21.93 63.96 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.326 0.966 . . . . 0.0 112.038 174.244 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -66.16 -33.84 76.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.897 1.279 . . . . 0.0 112.287 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -75.6 -35.15 60.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.633 -0.667 . . . . 0.0 112.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.609 HG13 ' CE3' ' B' ' 47' ' ' TRP . 68.7 mt -61.26 -51.43 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.647 0.779 . . . . 0.0 109.5 163.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.98 -41.33 62.07 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.472 1.487 . . . . 0.0 112.942 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.86 -41.54 78.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.539 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 29.7 m-20 -61.57 -39.55 91.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 112.305 171.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.629 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 43.3 mm-40 -77.24 -33.78 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 111.179 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.43 -36.91 79.31 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.096 -1.002 . . . . 0.0 111.767 167.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -60.33 -43.0 96.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.995 0.918 . . . . 0.0 111.969 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 49.7 m170 -62.58 -43.68 98.21 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 111.631 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.98 -40.71 81.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.243 1.017 . . . . 0.0 112.225 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.31 -43.41 88.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.908 1.231 . . . . 0.0 112.738 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.831 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 24.5 m0 -72.0 -42.08 66.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.582 0.753 . . . . 0.0 111.656 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.18 -43.23 78.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.632 1.573 . . . . 0.0 112.203 173.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.73 -40.93 88.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.682 0.793 . . . . 0.0 112.186 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -61.49 -31.49 71.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.811 0.844 . . . . 0.0 112.751 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -83.56 -19.38 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.533 1.533 . . . . 0.0 113.65 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -67.97 140.21 56.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.454 1.101 . . . . 0.0 111.745 176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 C-N-CA 125.301 1.429 . . . . 0.0 113.011 -177.514 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -136.39 71.17 1.41 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.614 1.165 . . . . 0.0 112.207 -164.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -144.1 52.48 1.29 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.409 2.284 . . . . 0.0 110.351 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.51 -74.96 0.28 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.585 2.354 . . . . 0.0 110.233 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -27.51 68.7 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.439 1.472 . . . . 0.0 113.619 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.88 -33.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.411 1.085 . . . . 0.0 113.507 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 17' ' ' LEU . 10.0 mt -77.02 -50.02 14.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.527 0.731 . . . . 0.0 109.885 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -44.17 44.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 128.96 2.904 . . . . 0.0 113.386 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -71.66 -45.32 62.33 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.5 -33.39 74.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.595 1.158 . . . . 0.0 113.269 168.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.93 -37.87 69.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.05 0.94 . . . . 0.0 112.508 163.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -83.28 -20.85 33.67 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.93 -36.07 82.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.574 1.079 . . . . 0.0 111.932 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.92 86.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.716 0.689 . . . . 0.0 110.373 171.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -39.02 93.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.157 0.983 . . . . 0.0 113.038 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -64.36 -42.05 96.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.258 1.423 . . . . 0.0 112.429 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.953 HD22 ' HE1' ' A' ' 3' ' ' TYR . 4.7 mt -57.99 -47.17 83.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.865 0.866 . . . . 0.0 111.176 169.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -64.03 -36.42 83.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.985 1.714 . . . . 0.0 114.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -55.19 -46.62 75.87 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.363 1.065 . . . . 0.0 112.453 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -82.54 -38.03 24.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.61 0.764 . . . . 0.0 112.604 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.86 -40.21 66.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.57 -29.05 64.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.678 1.126 . . . . 0.0 114.017 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.28 -50.4 16.19 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.052 1.296 . . . . 0.0 111.7 169.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -65.63 -19.53 65.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.752 1.221 . . . . 0.0 114.016 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.76 28.21 8.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.713 2.405 . . . . 0.0 112.843 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -19.7 1.34 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -59.45 130.02 87.32 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.963 1.705 . . . . 0.0 112.04 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.29 -27.07 41.17 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.847 2.365 . . . . 0.0 114.328 -165.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.25 -46.91 65.98 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.71 0.804 . . . . 0.0 112.639 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -81.67 -44.57 16.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.552 1.941 . . . . 0.0 111.384 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' CD2' ' B' ' 34' ' ' LEU . 66.1 tttt -60.89 -18.95 59.34 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -106.5 7.8 31.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.955 1.302 . . . . 0.0 114.381 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.98 -47.99 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.115 1.366 . . . . 0.0 110.432 171.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.8 OUTLIER -65.8 -24.02 66.83 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.564 1.075 . . . . 0.0 112.651 176.069 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -65.44 -35.66 81.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.851 0.86 . . . . 0.0 112.454 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.61 -42.1 82.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.831 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 85.8 mt -63.18 -47.43 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.933 0.893 . . . . 0.0 109.201 170.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.64 -40.05 71.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.772 1.169 . . . . 0.0 113.477 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.92 -31.4 70.27 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.599 1.091 . . . . 0.0 113.575 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.428 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 13.2 m-20 -71.66 -38.53 70.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.686 1.195 . . . . 0.0 112.359 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.535 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 48.2 mm-40 -74.74 -37.84 62.4 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.866 -1.147 . . . . 0.0 111.129 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.12 -33.84 72.68 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.408 -0.807 . . . . 0.0 111.779 172.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.05 -43.36 87.69 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.74 0.816 . . . . 0.0 112.069 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.539 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 54.1 m170 -60.65 -41.46 94.99 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.131 0.972 . . . . 0.0 111.917 174.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.57 -42.2 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.293 1.037 . . . . 0.0 112.029 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.14 -41.1 96.11 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.285 -0.884 . . . . 0.0 112.942 174.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.609 ' CE3' HG13 ' A' ' 37' ' ' ILE . 41.8 m0 -73.12 -34.95 66.44 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.9 0.88 . . . . 0.0 111.417 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -47.94 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.544 1.137 . . . . 0.0 112.845 175.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -18.9 64.13 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.438 1.095 . . . . 0.0 113.654 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -90.49 -30.9 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.094 1.358 . . . . 0.0 111.232 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.527 HG12 ' HE2' ' A' ' 30' ' ' LYS . 51.5 mt -70.11 -30.57 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.652 1.581 . . . . 0.0 111.584 168.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -62.24 139.59 58.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.312 1.045 . . . . 0.0 111.541 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 C-N-CA 125.923 1.725 . . . . 0.0 112.799 -175.44 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . 0.629 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -70.23 79.5 0.52 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.675 1.59 . . . . 0.0 112.815 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -150.61 51.62 0.88 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.583 1.153 . . . . 0.0 110.06 -173.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.28 -49.35 1.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.313 1.445 . . . . 0.0 112.446 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -61.1 -32.97 72.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.847 1.659 . . . . 0.0 111.959 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.62 -55.35 35.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.278 1.831 . . . . 0.0 111.925 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 HD11 HD22 ' B' ' 17' ' ' LEU . 8.0 mp -68.52 -44.5 74.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.069 1.347 . . . . 0.0 112.893 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.09 -39.07 8.82 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.956 2.102 . . . . 0.0 112.498 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -64.59 -56.42 14.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.797 0.839 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.57 -33.49 76.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.873 0.869 . . . . 0.0 112.951 173.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.87 -41.56 70.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.64 1.176 . . . . 0.0 111.463 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -83.06 -19.25 37.21 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HB3' HD13 ' B' ' 10' ' ' LEU . 15.2 mm-40 -68.84 -36.47 78.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.408 1.004 . . . . 0.0 111.769 173.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.31 70.16 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.053 0.842 . . . . 0.0 110.748 170.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mmm -57.18 -45.81 83.37 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -69.58 -33.32 72.56 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.014 -1.054 . . . . 0.0 112.169 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' B' ' 6' ' ' GLU . 8.0 mt -62.0 -46.82 87.55 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.895 167.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 37' ' ' ILE . 4.3 m-85 -58.11 -37.41 74.52 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.818 1.647 . . . . 0.0 113.317 175.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -60.42 -24.09 64.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.203 1.801 . . . . 0.0 114.605 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -112.4 -35.38 5.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.256 1.423 . . . . 0.0 111.889 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.86 25.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.512 1.525 . . . . 0.0 112.986 163.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -57.24 -40.91 78.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.837 0.855 . . . . 0.0 113.006 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -76.08 -36.56 58.9 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.058 -1.026 . . . . 0.0 112.636 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.93 -35.47 80.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.369 1.067 . . . . 0.0 113.256 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.58 -63.98 0.99 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.426 1.09 . . . . 0.0 112.053 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 45.26 22.5 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.998 2.119 . . . . 0.0 115.608 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -125.55 132.43 24.31 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.65 1.58 . . . . 0.0 109.891 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.19 -22.35 34.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.788 2.325 . . . . 0.0 114.347 -161.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.83 -51.31 62.78 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.827 0.74 . . . . 0.0 111.132 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -42.42 97.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.341 1.056 . . . . 0.0 111.055 172.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.93 1.79 2.43 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m -126.72 22.11 6.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.184 1.794 . . . . 0.0 111.977 166.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG11 HD13 ' B' ' 51' ' ' ILE . 2.2 t -122.64 -55.66 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.016 2.126 . . . . 0.0 109.24 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -21.65 64.89 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.293 0.951 . . . . 0.0 110.958 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -65.87 -33.34 75.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.394 1.077 . . . . 0.0 112.723 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.64 -40.44 63.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.228 1.011 . . . . 0.0 111.772 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.489 HG21 ' CE2' ' A' ' 18' ' ' TYR . 2.4 mt -59.22 -52.53 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.142 164.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.65 -38.57 69.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.327 1.876 . . . . 0.0 113.237 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.27 -31.16 72.25 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.411 1.005 . . . . 0.0 113.526 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.23 -23.26 35.46 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 113.551 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -104.12 -23.86 13.24 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.478 -1.389 . . . . 0.0 108.568 -160.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -42.36 76.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.55 1.54 . . . . 0.0 112.902 149.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -62.79 -40.94 98.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.426 1.09 . . . . 0.0 112.355 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.597 ' CE1' HG23 ' B' ' 37' ' ' ILE . 61.9 m170 -63.86 -40.15 95.87 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.69 -39.29 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.02 0.928 . . . . 0.0 111.635 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.98 -44.63 94.37 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.655 1.116 . . . . 0.0 112.261 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.729 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 40.5 m0 -69.88 -42.86 72.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.603 0.761 . . . . 0.0 111.782 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -53.86 -42.29 68.4 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.695 1.598 . . . . 0.0 111.89 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.38 -38.96 88.71 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 m -64.99 -30.4 71.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.986 0.812 . . . . 0.0 112.18 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.56 -16.94 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.596 1.558 . . . . 0.0 113.53 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -62.11 152.44 32.85 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.409 1.484 . . . . 0.0 112.829 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.914 1.721 . . . . 0.0 113.046 -176.719 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptt? . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.286 0.088 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -145.41 29.53 1.15 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.749 1.22 . . . . 0.0 114.049 -160.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -111.66 37.7 2.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.708 1.203 . . . . 0.0 114.21 -161.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.669 HD12 ' H ' ' B' ' 5' ' ' ARG 0.291 0.8 OUTLIER -123.97 -64.07 1.16 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.543 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.669 ' H ' HD12 ' B' ' 4' ' ' LEU . 26.6 mtt85 -57.32 -37.85 73.14 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.502 1.501 . . . . 0.0 112.179 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 17' ' ' LEU . 17.7 tt0 -57.14 -43.83 82.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.736 0.814 . . . . 0.0 112.43 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.42 -57.57 4.67 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.363 1.465 . . . . 0.0 112.165 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -44.88 62.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.92 2.088 . . . . 0.0 112.274 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -65.88 -44.35 85.63 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 13' ' ' GLN . 12.8 mt -68.06 -38.86 82.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.211 0.914 . . . . 0.0 113.286 171.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.01 -36.8 41.34 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.598 1.159 . . . . 0.0 111.315 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -84.82 -26.93 27.13 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.56 -35.47 79.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.894 1.224 . . . . 0.0 111.504 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.95 87.41 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.552 0.615 . . . . 0.0 110.753 168.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -38.67 88.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.112 0.869 . . . . 0.0 112.923 176.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -71.47 -39.47 70.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.568 0.747 . . . . 0.0 112.145 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.457 HD22 HD11 ' A' ' 7' ' ' LEU . 5.0 mt -58.01 -48.08 81.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.66 0.784 . . . . 0.0 111.646 167.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 9.2 m-85 -54.1 -42.19 69.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.497 . . . . 0.0 114.843 170.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -63.21 -42.01 99.23 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.079 1.309 . . . . 0.0 112.85 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.35 -39.56 65.11 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.087 0.47 . . . . 0.0 112.018 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.69 63.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.987 166.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -58.52 -29.46 66.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -76.42 -49.19 17.32 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.599 1.545 . . . . 0.0 110.909 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -63.52 -36.7 84.66 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.352 1.061 . . . . 0.0 112.585 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.34 33.41 1.78 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.916 2.486 . . . . 0.0 112.429 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -20.77 0.97 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.695 1.998 . . . . 0.0 115.995 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.04 136.11 96.6 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 126.054 1.742 . . . . 0.0 112.053 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.09 -22.12 62.21 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.144 2.563 . . . . 0.0 114.67 -170.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.17 -45.99 90.94 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.038 0.835 . . . . 0.0 112.937 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -81.94 -43.13 18.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.981 1.312 . . . . 0.0 111.39 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.22 -13.15 16.24 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -111.23 6.22 20.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.642 1.177 . . . . 0.0 114.031 172.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.95 -48.74 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.782 1.633 . . . . 0.0 109.989 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -21.49 61.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.189 0.904 . . . . 0.0 112.192 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -66.81 -36.76 83.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.11 0.868 . . . . 0.0 111.937 176.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -65.49 -41.74 92.94 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.81 1.244 . . . . 0.0 112.74 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.729 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 84.7 mt -62.13 -46.87 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.983 0.913 . . . . 0.0 109.731 167.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -39.74 49.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.526 1.057 . . . . 0.0 113.028 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.66 -39.73 66.9 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.47 -40.49 94.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 112.238 171.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -76.49 -34.63 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.41 -0.806 . . . . 0.0 111.054 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.87 -37.05 73.24 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.785 -0.572 . . . . 0.0 111.562 167.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -66.94 -39.79 87.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.598 0.759 . . . . 0.0 112.858 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.431 ' CD2' HG13 ' A' ' 37' ' ' ILE . 49.9 m170 -61.7 -52.73 63.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 119.468 1.031 . . . . 0.0 111.208 175.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mm -54.37 -41.52 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 126.258 1.823 . . . . 0.0 113.316 172.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.4 -46.27 76.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.929 1.241 . . . . 0.0 112.579 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -74.17 -43.83 55.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.326 0.65 . . . . 0.0 110.945 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.89 -40.41 56.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.074 1.35 . . . . 0.0 112.316 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -65.66 -47.21 76.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -15.65 62.77 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.481 HD13 HG11 ' A' ' 33' ' ' VAL . 6.1 mt -107.46 -12.26 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.706 2.002 . . . . 0.0 113.661 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -74.61 167.04 22.54 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.652 1.181 . . . . 0.0 111.685 168.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.191 0 C-N-CA 125.118 1.342 . . . . 0.0 113.012 177.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.7 t0 58.26 72.24 0.53 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.285 1.834 . . . . 0.0 114.693 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -133.22 8.58 4.02 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.0 2.12 . . . . 0.0 112.61 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.05 -36.48 70.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.427 -1.42 . . . . 0.0 114.065 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.45 -30.53 68.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.302 1.041 . . . . 0.0 112.133 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -65.16 -43.03 93.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.398 0.679 . . . . 0.0 111.317 171.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.94 -51.68 68.65 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.873 0.469 . . . . 0.0 111.595 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.21 -43.22 31.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.287 2.235 . . . . 0.0 112.435 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -65.02 -51.33 62.18 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.31 -35.18 79.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 171.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.73 -35.07 68.13 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.179 1.392 . . . . 0.0 112.321 166.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -85.06 -17.61 36.89 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.98 -35.29 80.19 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.409 -1.432 . . . . 0.0 111.672 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -28.56 67.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.516 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpt -77.41 -39.53 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.489 1.116 . . . . 0.0 111.043 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -60.42 -44.95 95.25 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.249 1.02 . . . . 0.0 112.114 168.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.82 -47.7 83.89 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.035 0.534 . . . . 0.0 111.95 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.88 -30.92 70.44 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -24.7 63.13 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 171.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.94 -35.68 7.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.834 1.254 . . . . 0.0 112.565 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.89 73.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.246 0.619 . . . . 0.0 111.605 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 t -58.37 -34.82 71.11 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 114.082 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.04 -45.25 70.9 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.122 -0.986 . . . . 0.0 111.555 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.79 -39.08 90.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.23 0.612 . . . . 0.0 112.009 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 33.63 0.19 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.257 2.223 . . . . 0.0 113.559 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -18.3 47.06 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.343 -1.473 . . . . 0.0 113.774 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.45 126.35 90.41 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.228 1.411 . . . . 0.0 110.714 171.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.9 -17.8 46.73 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 114.356 -170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -65.33 -54.93 21.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.052 0.842 . . . . 0.0 110.483 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.36 90.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.018 1.327 . . . . 0.0 111.924 172.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.26 4.42 0.96 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -121.89 9.68 10.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.466 1.506 . . . . 0.0 112.965 165.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 51' ' ' ILE . 68.5 t -110.79 -53.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.018 1.727 . . . . 0.0 110.267 174.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -21.52 66.01 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.488 1.04 . . . . 0.0 111.797 172.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.92 -33.21 74.25 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.264 -0.897 . . . . 0.0 112.499 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -71.43 -40.61 70.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.168 0.987 . . . . 0.0 111.989 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.08 -55.73 16.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 118.107 -0.949 . . . . 0.0 108.603 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.73 -31.65 68.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.442 1.473 . . . . 0.0 114.652 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.32 -39.25 74.87 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.788 1.176 . . . . 0.0 112.959 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.662 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 9.7 m-20 -63.91 -36.26 83.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.234 1.414 . . . . 0.0 112.249 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.619 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 4.6 tp10 -81.0 -34.56 32.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.71 1.204 . . . . 0.0 111.451 -167.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.4 -35.45 77.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.361 1.065 . . . . 0.0 111.745 163.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -61.96 -37.24 84.0 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.236 -0.915 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.568 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -62.56 -43.07 99.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.473 1.109 . . . . 0.0 112.127 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.06 -41.7 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.764 1.226 . . . . 0.0 112.136 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.65 -41.77 86.81 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.244 0.929 . . . . 0.0 112.327 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CE3' HG13 ' B' ' 37' ' ' ILE . 26.3 m0 -73.59 -42.89 60.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.57 0.748 . . . . 0.0 111.683 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.0 -40.48 70.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.289 1.436 . . . . 0.0 112.046 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -70.65 -43.64 68.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -23.66 66.72 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.96 -15.73 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.029 1.731 . . . . 0.0 113.333 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -66.1 153.56 41.98 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.773 0.829 . . . . 0.0 112.452 172.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.288 0 C-N-CA 125.829 1.681 . . . . 0.0 114.348 177.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -160.78 55.39 0.31 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.351 1.061 . . . . 0.0 112.006 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -139.7 64.57 1.45 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 123.401 1.572 . . . . 0.0 112.746 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.37 -59.4 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.071 1.348 . . . . 0.0 112.3 175.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -65.83 -36.32 83.13 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.362 0.983 . . . . 0.0 112.246 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.72 -38.39 84.92 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.329 1.052 . . . . 0.0 112.681 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.47 -53.43 28.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 111.078 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -41.9 91.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 128.103 2.561 . . . . 0.0 113.183 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -63.48 -52.67 60.36 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.56 -36.81 79.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.923 0.889 . . . . 0.0 112.992 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.47 -32.95 70.72 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.568 1.147 . . . . 0.0 113.741 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.42 -16.69 24.3 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.969 1.713 . . . . 0.0 115.263 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.74 -39.48 70.03 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 111.158 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.88 84.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ttm -64.6 -44.21 91.32 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.09 -41.02 97.77 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.35 -0.844 . . . . 0.0 112.071 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.77 -46.61 77.88 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 168.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.25 -36.13 81.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.168 1.787 . . . . 0.0 113.916 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -61.54 -45.15 95.39 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.821 1.191 . . . . 0.0 112.903 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.33 -36.44 53.88 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.709 -0.619 . . . . 0.0 112.384 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.94 -38.75 65.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.797 0.839 . . . . 0.0 111.608 166.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -57.8 -33.06 68.16 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -67.82 -37.51 82.04 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.992 -1.068 . . . . 0.0 112.465 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -70.2 -46.79 63.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.523 1.129 . . . . 0.0 111.581 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 22.38 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.975 2.51 . . . . 0.0 114.73 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -27.37 1.08 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.349 2.659 . . . . 0.0 115.265 170.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -69.79 127.19 92.7 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.406 1.082 . . . . 0.0 109.81 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.46 -26.41 62.72 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.782 2.321 . . . . 0.0 114.093 -162.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.02 -50.72 71.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.496 1.118 . . . . 0.0 112.712 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.14 63.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.687 1.195 . . . . 0.0 111.957 172.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.27 -33.23 65.27 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.212 0.915 . . . . 0.0 113.18 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -89.84 2.84 54.48 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.26 -50.17 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.053 1.341 . . . . 0.0 110.219 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -70.69 -19.9 62.73 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.703 1.138 . . . . 0.0 112.607 175.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.93 -34.56 77.73 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.314 0.961 . . . . 0.0 112.788 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.95 -44.48 92.69 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.131 -0.981 . . . . 0.0 112.036 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.632 HG13 ' CE3' ' A' ' 47' ' ' TRP . 73.8 mt -63.38 -47.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.076 172.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.83 -42.47 65.18 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.097 1.317 . . . . 0.0 113.11 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.61 -37.07 65.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.823 1.192 . . . . 0.0 113.443 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 27.7 m-20 -63.26 -42.35 99.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.659 1.184 . . . . 0.0 112.199 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.635 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 32.0 mm-40 -73.36 -37.3 66.11 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.422 -0.799 . . . . 0.0 110.134 -177.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.27 -37.65 78.18 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.968 -1.082 . . . . 0.0 111.583 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -61.29 -43.05 99.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.1 0.96 . . . . 0.0 112.135 172.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.662 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.7 m170 -62.15 -43.74 98.16 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 119.281 0.946 . . . . 0.0 111.501 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.02 -42.24 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.533 1.133 . . . . 0.0 111.753 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -54.61 -45.29 73.66 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.077 0.853 . . . . 0.0 112.102 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -76.24 -38.45 56.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.619 0.768 . . . . 0.0 112.307 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.85 -43.68 77.31 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.358 1.463 . . . . 0.0 112.361 173.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.61 -27.01 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -83.16 -26.57 30.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 111.493 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.4 HD11 HG11 ' A' ' 33' ' ' VAL . 1.6 mp -86.57 -22.14 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 125.474 1.51 . . . . 0.0 112.268 172.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.98 150.44 48.65 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.396 1.478 . . . . 0.0 111.985 170.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.183 0 CA-C-O 118.278 -1.29 . . . . 0.0 113.107 176.326 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . 0.635 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . 0.619 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 86.39 135.64 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 129.438 3.095 . . . . 0.0 114.263 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.649 ' CD2' ' HG2' ' B' ' 24' ' ' LYS . 50.3 p90 -72.24 26.5 0.05 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.266 2.227 . . . . 0.0 113.932 177.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -130.41 -37.92 1.38 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.414 1.886 . . . . 0.0 112.689 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -62.48 -41.58 98.89 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.107 1.363 . . . . 0.0 111.35 170.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.97 -38.9 90.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.602 1.161 . . . . 0.0 112.326 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 81.9 mt -65.85 -52.37 50.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.837 0.855 . . . . 0.0 111.608 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.21 -41.23 49.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.148 2.179 . . . . 0.0 112.967 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -63.17 -58.23 7.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD13 ' CD1' ' B' ' 17' ' ' LEU . 4.9 mp -59.75 -34.18 72.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.79 -37.68 74.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.118 1.367 . . . . 0.0 113.191 167.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -87.45 -11.7 48.28 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -72.39 -34.66 68.07 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 120.72 -1.237 . . . . 0.0 110.755 174.113 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.23 91.97 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.235 167.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -60.92 -46.05 92.2 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.638 1.108 . . . . 0.0 113.441 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.93 -40.58 98.08 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.428 -0.795 . . . . 0.0 112.355 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' B' ' 10' ' ' LEU . 4.6 mt -61.25 -46.72 89.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.511 0.724 . . . . 0.0 112.304 171.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.01 -32.09 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.185 1.794 . . . . 0.0 113.308 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -61.91 -15.44 43.01 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.86 -40.82 3.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.15 1.38 . . . . 0.0 112.281 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -35.34 65.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.429 0.692 . . . . 0.0 112.121 168.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -61.08 -33.31 73.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.429 1.092 . . . . 0.0 113.466 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.97 -46.14 62.86 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.222 -0.924 . . . . 0.0 111.674 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -65.32 -40.65 94.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.797 0.839 . . . . 0.0 112.548 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.54 30.74 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.247 1.819 . . . . 0.0 113.891 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -13.96 16.43 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.2 130.74 94.88 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.918 1.287 . . . . 0.0 110.743 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.68 -23.21 69.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.232 2.621 . . . . 0.0 114.462 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.98 -27.26 68.73 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.852 1.261 . . . . 0.0 113.749 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE3' ' OH ' ' B' ' 3' ' ' TYR . 30.1 ttpt -117.95 -29.64 5.59 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.272 1.829 . . . . 0.0 113.464 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.06 -26.8 60.97 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.542 1.137 . . . . 0.0 113.619 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m -99.43 6.25 46.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.762 1.225 . . . . 0.0 114.044 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.56 -45.39 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.911 1.285 . . . . 0.0 110.35 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.65 -22.01 65.33 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.598 1.09 . . . . 0.0 112.069 172.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.51 -31.3 72.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.813 0.845 . . . . 0.0 112.773 172.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.83 -38.54 64.49 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 112.241 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.06 -50.56 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.403 163.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.77 -39.99 65.87 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.334 1.425 . . . . 0.0 113.329 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.67 -40.07 80.3 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.15 -40.04 94.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.615 1.166 . . . . 0.0 112.083 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.96 -35.22 64.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.32 -38.59 80.66 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 111.827 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -66.48 -37.96 86.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.275 0.63 . . . . 0.0 112.612 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.41 -45.04 94.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.309 -0.87 . . . . 0.0 111.578 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.37 -38.82 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.162 0.985 . . . . 0.0 112.175 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.59 -47.96 75.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.85 1.204 . . . . 0.0 112.026 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -72.57 -42.02 65.06 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.054 -0.404 . . . . 0.0 111.812 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.95 -42.18 72.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.2 1.4 . . . . 0.0 112.009 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.82 -48.45 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.59 0.756 . . . . 0.0 112.632 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -56.29 -31.35 63.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.843 1.257 . . . . 0.0 113.227 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.8 mm -86.18 -15.6 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.787 1.635 . . . . 0.0 113.524 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -98.44 76.86 2.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.805 1.642 . . . . 0.0 111.783 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.232 0 C-N-CA 125.012 1.291 . . . . 0.0 112.839 177.846 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 49.32 56.51 7.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.863 1.665 . . . . 0.0 114.364 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.583 ' OH ' ' HE3' ' A' ' 30' ' ' LYS . 19.6 p90 -51.12 -8.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.808 2.443 . . . . 0.0 116.787 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.16 -21.86 13.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.868 2.467 . . . . 0.0 115.51 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -35.99 41.85 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.462 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.0 tp10 -52.98 -40.03 63.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.043 2.137 . . . . 0.0 112.79 168.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.53 -62.08 1.9 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.012 0.925 . . . . 0.0 110.892 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.27 -43.3 70.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.39 2.276 . . . . 0.0 112.571 -173.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.18 -49.09 75.66 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 17' ' ' LEU . 17.5 mt -68.7 -35.27 76.95 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.611 0.641 . . . . 0.0 112.132 176.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.11 -38.86 68.7 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.652 1.581 . . . . 0.0 112.422 165.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -85.51 -29.57 24.13 Favored 'General case' 0 C--N 1.344 0.369 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -65.67 -34.91 79.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.614 -0.679 . . . . 0.0 111.822 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.451 0.569 . . . . 0.0 110.197 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 26.4 mmm -62.88 -41.16 99.31 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -64.3 -40.42 95.91 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 10' ' ' LEU . 5.2 mt -58.46 -41.89 86.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.907 0.883 . . . . 0.0 112.228 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.45 -34.72 76.47 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 112.593 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -59.79 -46.91 87.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.657 1.183 . . . . 0.0 112.2 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.16 -40.93 51.34 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -30.55 61.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.445 0.698 . . . . 0.0 112.064 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 t -67.32 -28.29 67.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.368 0.985 . . . . 0.0 113.566 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -74.65 -43.28 56.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.288 -1.508 . . . . 0.0 111.644 165.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.649 ' HG2' ' CD2' ' A' ' 3' ' ' TYR . 13.6 ttmm -68.14 -19.61 64.83 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.52 36.4 3.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.338 2.655 . . . . 0.0 111.617 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -52.35 -22.72 4.87 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -52.16 128.97 40.21 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.632 2.373 . . . . 0.0 111.798 171.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -65.89 -22.39 56.12 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.655 2.237 . . . . 0.0 113.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.68 75.76 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 112.481 173.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.33 -36.87 9.85 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 113.122 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -66.05 3.84 0.78 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.94 1.696 . . . . 0.0 115.063 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.3 m -124.86 13.35 8.52 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.916 1.687 . . . . 0.0 113.498 167.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -115.5 -49.69 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.695 1.598 . . . . 0.0 109.969 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -21.5 61.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.557 1.071 . . . . 0.0 112.299 174.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -61.1 -32.84 72.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.802 1.241 . . . . 0.0 112.301 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.26 -40.0 62.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.597 -0.689 . . . . 0.0 112.113 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.1 -52.87 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.186 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.296 0.6 OUTLIER -61.55 -30.67 70.8 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.058 1.299 . . . . 0.0 112.898 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.2 -40.86 70.92 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.039 -1.038 . . . . 0.0 113.268 172.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -61.67 -38.75 88.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.822 1.249 . . . . 0.0 112.287 171.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -75.09 -37.84 61.41 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.142 -0.974 . . . . 0.0 111.351 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.44 -36.83 69.44 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.321 -0.862 . . . . 0.0 111.455 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.819 0.848 . . . . 0.0 112.265 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -62.72 -38.07 89.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.116 0.966 . . . . 0.0 112.888 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.98 -42.35 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.098 0.959 . . . . 0.0 111.027 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -61.33 -42.05 98.03 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.641 -0.662 . . . . 0.0 112.221 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -70.32 -36.97 74.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.874 0.869 . . . . 0.0 111.921 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -47.64 84.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.06 1.344 . . . . 0.0 111.732 173.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.81 -42.37 97.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.198 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -35.73 75.94 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.73 -14.34 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.953 1.701 . . . . 0.0 112.89 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -121.81 30.49 6.65 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.158 1.783 . . . . 0.0 112.718 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 C-N-CA 125.303 1.43 . . . . 0.0 113.276 176.772 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.362 -0.828 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.59 130.19 8.85 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.674 1.589 . . . . 0.0 114.398 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.691 ' CD2' ' HD3' ' B' ' 24' ' ' LYS . 41.0 p90 -137.49 -6.45 1.75 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -173.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.24 -30.33 69.35 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -167.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -31.14 68.75 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.651 1.18 . . . . 0.0 111.071 176.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.69 -40.64 95.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.536 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 HD13 ' B' ' 17' ' ' LEU . 49.6 mt -65.23 -50.08 67.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.859 0.864 . . . . 0.0 111.76 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.42 -40.84 12.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.217 2.607 . . . . 0.0 113.475 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.26 -53.92 25.62 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.01 -36.16 76.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.742 0.817 . . . . 0.0 112.574 170.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.51 -38.54 77.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 0.0 112.93 170.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -85.44 -23.31 27.93 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -62.48 -31.22 71.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.599 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.79 -46.88 62.05 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 119.067 0.849 . . . . 0.0 110.506 171.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.3 mmm -54.59 -43.39 72.08 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.638 1.108 . . . . 0.0 112.704 174.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.81 -38.06 76.47 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.709 -0.62 . . . . 0.0 111.937 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 3.6 mt -62.95 -38.99 93.28 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.387 0.675 . . . . 0.0 112.002 169.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -64.76 -35.68 81.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.802 1.641 . . . . 0.0 112.803 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -62.37 -42.58 99.53 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.864 0.865 . . . . 0.0 112.845 171.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.91 -43.2 36.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.966 0.906 . . . . 0.0 112.84 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.74 67.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.135 0.974 . . . . 0.0 111.648 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -63.82 -34.48 78.0 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.29 0.95 . . . . 0.0 112.834 173.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.15 -43.71 73.74 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.202 -0.937 . . . . 0.0 111.385 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -65.76 -18.98 65.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.371 1.468 . . . . 0.0 114.504 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.02 36.91 4.51 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.137 2.175 . . . . 0.0 111.959 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -50.95 -21.42 1.74 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.06 130.71 92.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.267 1.827 . . . . 0.0 111.352 173.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -63.19 -23.61 72.78 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.911 2.407 . . . . 0.0 114.027 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.54 -24.27 55.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.966 2.106 . . . . 0.0 113.965 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -36.62 3.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 113.23 170.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.93 -16.44 29.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -107.53 9.89 29.41 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.499 1.12 . . . . 0.0 113.917 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -115.76 -46.54 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.489 1.516 . . . . 0.0 110.451 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -18.91 62.39 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.242 0.928 . . . . 0.0 111.44 171.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.07 -36.71 83.93 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.411 -0.806 . . . . 0.0 112.318 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -72.09 -31.83 66.44 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.081 -1.012 . . . . 0.0 112.234 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.8 -56.82 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 117.388 -1.292 . . . . 0.0 109.272 163.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.326 1.0 OUTLIER -60.99 -24.79 66.4 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 121.469 1.94 . . . . 0.0 113.35 -175.028 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.71 -36.73 42.97 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.646 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -62.19 -40.9 97.6 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.382 1.473 . . . . 0.0 111.907 165.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -82.9 -33.09 26.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.892 -166.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.53 -31.17 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.561 1.144 . . . . 0.0 112.622 163.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -38.47 89.13 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.916 0.78 . . . . 0.0 111.947 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.743 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 46.8 m170 -61.17 -37.83 84.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.298 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.23 -37.72 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.87 0.868 . . . . 0.0 110.835 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.93 -42.86 94.86 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.658 1.117 . . . . 0.0 112.129 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 20.3 m0 -70.96 -45.04 64.82 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.366 0.666 . . . . 0.0 111.446 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.5 -40.88 68.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.193 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.97 -44.39 76.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.658 0.783 . . . . 0.0 112.833 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -20.41 66.24 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.7 mt -93.09 -18.4 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.251 1.82 . . . . 0.0 113.042 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -69.16 162.21 27.51 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.976 1.31 . . . . 0.0 112.028 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.173 0 C-N-CA 125.538 1.542 . . . . 0.0 112.865 -179.067 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttp . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -65.28 141.68 58.53 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.711 1.142 . . . . 0.0 111.476 166.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -147.29 -0.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.107 1.363 . . . . 0.0 113.925 169.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -94.46 -33.19 13.21 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -167.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -67.16 -28.99 68.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.913 0.885 . . . . 0.0 111.864 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.381 1.472 . . . . 0.0 112.494 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 96.1 mt -58.74 -56.05 27.22 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.825 1.25 . . . . 0.0 111.514 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -46.31 60.57 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.85 2.46 . . . . 0.0 112.506 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.62 -44.59 93.47 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -66.87 -38.33 86.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.89 0.768 . . . . 0.0 112.472 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -28.04 58.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.464 1.505 . . . . 0.0 113.123 167.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -95.64 -20.31 19.05 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.26 -34.46 77.48 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.837 -1.165 . . . . 0.0 112.227 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.2 98.69 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.643 0.656 . . . . 0.0 110.138 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -62.67 -42.09 99.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.865 0.866 . . . . 0.0 112.948 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.74 -40.24 91.93 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.709 -0.619 . . . . 0.0 112.385 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.759 HD13 HD23 ' A' ' 7' ' ' LEU . 1.2 mt -56.63 -44.87 81.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 168.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.43 -39.74 95.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.912 1.685 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -37.04 76.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.12 0.568 . . . . 0.0 111.843 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -83.3 -34.31 25.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.124 0.97 . . . . 0.0 113.248 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.78 67.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.625 0.77 . . . . 0.0 112.428 170.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -58.65 -32.31 68.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.8 -37.12 35.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.355 1.062 . . . . 0.0 112.249 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.691 ' HD3' ' CD2' ' A' ' 3' ' ' TYR . 63.5 mttm -60.94 -37.63 83.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.368 0.667 . . . . 0.0 112.461 169.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.32 -66.09 0.59 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.743 1.217 . . . . 0.0 111.901 170.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 43.31 25.71 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.864 2.066 . . . . 0.0 114.934 -170.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -133.32 137.81 30.04 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.394 1.878 . . . . 0.0 109.901 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.01 -24.6 45.2 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.891 2.394 . . . . 0.0 114.065 -170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -67.46 -52.07 43.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.642 0.656 . . . . 0.0 110.67 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -67.35 -42.69 83.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.049 . . . . 0.0 112.284 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.37 -33.38 63.37 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.15 10.04 35.43 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.94 -44.47 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.36 1.464 . . . . 0.0 111.078 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.97 66.27 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.922 1.237 . . . . 0.0 111.743 169.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.67 -35.4 70.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.081 1.31 . . . . 0.0 113.309 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.87 -42.46 63.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.714 0.806 . . . . 0.0 112.399 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.756 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 67.7 mt -60.78 -44.28 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.233 1.013 . . . . 0.0 110.371 168.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.87 -39.86 90.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.52 1.055 . . . . 0.0 112.471 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.96 -37.92 79.1 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.312 0.96 . . . . 0.0 112.579 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.14 -39.98 95.18 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.685 1.194 . . . . 0.0 112.365 169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.743 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 12.5 mm-40 -71.33 -36.98 71.75 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.07 -41.24 87.49 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.078 -1.014 . . . . 0.0 111.834 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -59.96 -43.22 95.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.613 0.765 . . . . 0.0 111.623 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.646 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 55.6 m170 -63.4 -46.8 84.74 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.105 0.962 . . . . 0.0 112.208 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.28 -41.58 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 111.982 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.28 -44.5 92.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.23 0.923 . . . . 0.0 112.364 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -71.98 -36.38 69.78 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.621 0.768 . . . . 0.0 112.026 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -49.19 75.2 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.607 1.163 . . . . 0.0 111.558 170.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.66 -42.74 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -60.75 -34.23 74.12 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -77.44 -24.42 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.467 1.507 . . . . 0.0 112.878 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.98 62.71 2.17 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.39 1.876 . . . . 0.0 112.119 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.939 1.733 . . . . 0.0 112.918 177.493 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.759 ' OD2' ' HD2' ' B' ' 24' ' ' LYS . 4.9 m-20 -44.2 107.31 0.09 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.092 1.757 . . . . 0.0 114.372 -167.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 56.73 15.28 2.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.488 2.715 . . . . 0.0 117.465 173.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -53.88 -42.8 69.02 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -154.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.96 -35.89 80.98 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.09 0.956 . . . . 0.0 111.92 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.01 -36.58 81.97 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.158 1.783 . . . . 0.0 111.965 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.767 ' CD2' HD22 ' B' ' 17' ' ' LEU . 30.0 mt -73.33 -51.78 16.23 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.41 1.084 . . . . 0.0 111.489 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -41.5 67.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.622 2.369 . . . . 0.0 113.271 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.42 -49.73 68.1 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.538 HD22 HD23 ' B' ' 10' ' ' LEU . 45.8 mt -61.28 -39.57 90.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.629 0.772 . . . . 0.0 111.859 171.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.85 -36.18 67.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.223 1.409 . . . . 0.0 113.18 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.75 -22.78 22.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.45 -34.75 78.91 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.356 -0.84 . . . . 0.0 112.072 171.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.52 -39.99 80.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.889 0.768 . . . . 0.0 110.629 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmt -62.59 -39.7 94.56 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.455 1.025 . . . . 0.0 113.471 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -68.78 -38.74 80.24 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.479 -0.763 . . . . 0.0 111.922 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.53 -42.1 95.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.891 0.876 . . . . 0.0 112.434 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.548 1.539 . . . . 0.0 113.829 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtt85 -60.15 -40.32 89.45 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.915 1.234 . . . . 0.0 113.29 170.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -79.82 -42.62 23.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.742 0.817 . . . . 0.0 112.098 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.79 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.34 0.656 . . . . 0.0 112.272 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -64.96 -34.21 77.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 0.0 113.113 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.22 -40.54 82.04 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.302 -0.874 . . . . 0.0 111.637 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.69 -46.03 70.08 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.135 1.374 . . . . 0.0 112.403 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.08 29.67 0.17 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.312 2.245 . . . . 0.0 114.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -11.63 19.07 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.24 127.17 90.66 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.569 1.548 . . . . 0.0 110.41 169.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.6 -30.96 70.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.763 2.309 . . . . 0.0 113.873 -164.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.66 -47.44 76.67 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.331 1.052 . . . . 0.0 112.632 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -83.01 -36.14 25.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.696 1.599 . . . . 0.0 112.596 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -54.06 -27.67 33.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.578 1.151 . . . . 0.0 114.025 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -98.75 6.76 46.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 114.704 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.47 -46.52 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.337 1.455 . . . . 0.0 110.79 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -20.19 66.0 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.1 1.318 . . . . 0.0 112.259 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.98 -35.93 81.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.101 1.361 . . . . 0.0 113.332 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -73.41 -35.1 65.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.42 -0.8 . . . . 0.0 112.132 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.81 -50.25 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.413 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.88 -40.5 60.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.335 1.425 . . . . 0.0 113.224 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.78 -38.48 67.26 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.45 -41.01 98.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.565 1.146 . . . . 0.0 112.044 171.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -72.78 -35.03 67.31 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.719 -0.613 . . . . 0.0 110.31 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.75 -40.09 78.89 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.191 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -64.9 -40.39 95.01 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.687 -0.633 . . . . 0.0 112.231 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.657 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 44.7 m170 -61.99 -43.54 98.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.179 0.9 . . . . 0.0 111.59 172.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 124.498 1.119 . . . . 0.0 111.522 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.76 -48.69 77.27 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.544 1.065 . . . . 0.0 111.874 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.975 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 28.7 m0 -70.45 -40.03 73.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.337 0.655 . . . . 0.0 111.093 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -50.22 69.25 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.216 1.407 . . . . 0.0 112.014 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.54 -37.5 87.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.185 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -64.73 -30.78 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HE3' ' B' ' 30' ' ' LYS . 51.8 mt -77.65 -24.75 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.069 1.747 . . . . 0.0 112.626 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -65.14 164.3 13.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.326 1.051 . . . . 0.0 112.466 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.394 0 C-N-CA 125.776 1.655 . . . . 0.0 112.745 -178.542 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 mmt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -153.18 55.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.574 1.149 . . . . 0.0 111.429 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -137.11 21.18 3.0 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -165.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.46 -49.49 3.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.724 -1.235 . . . . 0.0 112.257 -172.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -61.15 -33.04 72.77 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.507 1.049 . . . . 0.0 112.733 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.13 -52.0 62.48 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.807 1.243 . . . . 0.0 111.542 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.79 -55.4 23.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.687 1.595 . . . . 0.0 112.619 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -41.9 51.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.785 2.034 . . . . 0.0 112.229 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -63.08 -52.13 63.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.538 HD23 HD22 ' A' ' 10' ' ' LEU . 16.2 mt -65.05 -35.17 80.31 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.272 0.942 . . . . 0.0 112.617 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.22 -42.13 72.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.541 1.536 . . . . 0.0 112.073 166.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -84.71 -23.62 29.26 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.63 -35.39 78.83 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.292 -0.88 . . . . 0.0 111.627 172.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.43 85.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.589 0.631 . . . . 0.0 110.185 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp -59.93 -41.36 91.64 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.712 0.805 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -66.33 -41.69 89.25 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.62 0.768 . . . . 0.0 111.24 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.767 HD22 ' CD2' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.65 -47.66 83.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.863 0.465 . . . . 0.0 112.136 168.751 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.39 -40.54 94.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.907 1.683 . . . . 0.0 113.246 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -64.6 -44.31 90.99 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.141 0.882 . . . . 0.0 112.563 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -76.19 -38.1 56.98 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.123 0.569 . . . . 0.0 111.834 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.13 -42.33 72.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.56 0.744 . . . . 0.0 111.362 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -64.26 -26.25 68.41 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.98 -46.46 57.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.836 -1.165 . . . . 0.0 111.898 173.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.759 ' HD2' ' OD2' ' A' ' 2' ' ' ASP . 5.9 tmtm? -72.56 -46.67 53.29 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.259 1.024 . . . . 0.0 112.214 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 36.82 0.3 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.029 2.131 . . . . 0.0 112.608 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -12.2 8.73 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -173.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.4 133.7 95.75 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.424 1.49 . . . . 0.0 110.817 171.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -68.03 -17.29 45.99 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.389 2.726 . . . . 0.0 114.668 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.72 -20.59 66.0 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.864 0.84 . . . . 0.0 112.284 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HE3' HD13 ' A' ' 51' ' ' ILE . 9.1 tptm -116.57 -45.97 2.78 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.948 2.099 . . . . 0.0 112.793 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -51.73 -39.77 59.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -87.96 7.02 33.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.73 -49.63 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.261 1.424 . . . . 0.0 110.285 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -70.43 -18.14 63.01 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.416 1.007 . . . . 0.0 112.449 174.522 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.54 -35.65 80.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.209 -0.932 . . . . 0.0 113.206 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.31 -40.92 94.37 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.051 -1.031 . . . . 0.0 112.143 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.975 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 65.3 mt -62.85 -47.92 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.5 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.02 -44.36 60.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.395 1.452 . . . . 0.0 112.923 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.46 -38.12 71.29 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -65.9 -37.55 86.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.681 1.192 . . . . 0.0 112.586 174.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.657 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 54.6 mm-40 -74.93 -35.95 62.17 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.264 -0.897 . . . . 0.0 110.709 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.14 -37.64 75.03 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.378 -0.826 . . . . 0.0 111.723 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -62.5 -40.64 97.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.936 0.894 . . . . 0.0 112.381 173.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -65.47 -46.65 78.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 119.359 0.981 . . . . 0.0 111.919 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -38.97 63.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.617 1.167 . . . . 0.0 112.098 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -59.19 -43.97 92.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.88 1.218 . . . . 0.0 112.946 172.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -73.15 -39.89 65.32 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.754 0.822 . . . . 0.0 111.692 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.02 -38.79 71.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.67 1.588 . . . . 0.0 112.057 171.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.54 -44.08 75.29 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.12 0.568 . . . . 0.0 112.103 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -27.37 68.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 31.1 mm -89.39 -16.05 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.972 1.709 . . . . 0.0 113.319 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -67.2 148.68 51.47 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.94 0.896 . . . . 0.0 112.538 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.519 1.533 . . . . 0.0 114.27 -179.807 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 ttp . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -57.61 147.91 25.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.606 1.162 . . . . 0.0 113.453 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -151.54 30.61 0.59 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -169.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -125.09 -52.46 1.65 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -29.45 70.8 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.173 0.897 . . . . 0.0 112.925 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.7 -54.61 45.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.76 1.224 . . . . 0.0 111.486 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' B' ' 18' ' ' TYR . 10.3 mp -63.38 -45.47 90.98 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 125.057 1.343 . . . . 0.0 112.364 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -42.14 67.96 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.122 1.769 . . . . 0.0 112.19 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -64.01 -52.23 60.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.6 -31.46 72.51 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.708 0.685 . . . . 0.0 112.831 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.74 -38.29 75.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.896 1.679 . . . . 0.0 111.744 166.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.99 -23.27 23.87 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -66.84 -34.5 77.94 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.108 -0.995 . . . . 0.0 112.044 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.63 -40.94 84.6 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 118.713 0.688 . . . . 0.0 110.566 170.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.49 -42.31 99.4 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.247 0.93 . . . . 0.0 113.001 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.35 -44.97 92.61 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.454 1.024 . . . . 0.0 111.512 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.14 -48.77 79.22 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.929 . . . . 0.0 111.991 172.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CE1' HD23 ' B' ' 7' ' ' LEU . 6.4 m-85 -57.62 -42.03 82.48 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 173.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.01 -26.14 67.4 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.272 0.942 . . . . 0.0 113.131 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.12 -40.57 10.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.28 1.032 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -31.69 62.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.468 0.707 . . . . 0.0 111.925 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -55.29 -34.32 64.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 113.458 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -38.57 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.07 -1.019 . . . . 0.0 112.746 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -84.73 -33.56 23.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.987 1.315 . . . . 0.0 113.546 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.38 6.95 10.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.421 1.888 . . . . 0.0 114.62 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -55.38 -13.84 1.61 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -171.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.13 135.98 93.9 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.953 1.701 . . . . 0.0 110.407 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.68 -28.31 86.31 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.111 2.541 . . . . 0.0 114.208 -166.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.59 -29.72 66.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.133 1.773 . . . . 0.0 114.567 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.88 -40.34 5.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.231 1.812 . . . . 0.0 112.093 173.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 14.4 tmtt? -57.13 -26.47 60.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.924 1.69 . . . . 0.0 114.522 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -99.24 2.46 45.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.68 -46.81 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.564 1.546 . . . . 0.0 110.382 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -65.98 -24.61 66.82 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.634 1.106 . . . . 0.0 111.846 173.142 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.6 -33.46 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.514 1.125 . . . . 0.0 113.043 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -75.84 -41.86 51.24 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.519 -0.738 . . . . 0.0 112.213 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.41 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 4.5 mt -60.63 -46.22 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.183 166.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 18' ' ' TYR . 24.7 mt -54.9 -43.02 72.89 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.018 1.281 . . . . 0.0 112.066 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.82 -38.18 73.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -62.91 -41.01 99.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.259 1.023 . . . . 0.0 112.143 171.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.63 -36.1 70.62 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 110.405 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.69 -40.73 88.87 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.097 -1.002 . . . . 0.0 112.134 169.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.57 -40.36 96.6 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.708 -0.62 . . . . 0.0 112.019 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -62.01 -44.48 96.63 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.834 0.854 . . . . 0.0 111.498 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.27 -39.2 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.243 1.017 . . . . 0.0 112.142 175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -60.68 -42.53 97.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.98 1.264 . . . . 0.0 112.708 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.87 -40.75 63.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 111.632 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -55.82 -38.77 70.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.756 1.622 . . . . 0.0 112.287 172.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.5 -43.32 90.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.427 0.691 . . . . 0.0 112.435 172.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -26.1 67.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.9 mt -80.39 -27.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.959 1.704 . . . . 0.0 113.092 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -67.82 158.06 33.38 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.943 1.297 . . . . 0.0 112.563 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.378 1.466 . . . . 0.0 112.862 -179.62 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -134.7 157.43 46.7 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.091 1.356 . . . . 0.0 111.437 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -146.25 24.22 1.29 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.524 1.13 . . . . 0.0 113.678 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -112.65 -48.24 3.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -62.63 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.993 1.27 . . . . 0.0 113.28 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.65 -48.78 79.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.578 1.151 . . . . 0.0 111.175 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.414 HD23 ' CE1' ' A' ' 18' ' ' TYR . 10.8 mp -71.3 10.27 0.63 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.707 2.803 . . . . 0.0 114.884 173.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.36 -46.02 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.445 1.498 . . . . 0.0 110.479 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -48.12 72.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.96 -37.75 88.56 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.698 0.799 . . . . 0.0 111.732 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.06 -34.68 68.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.284 1.434 . . . . 0.0 112.81 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -87.15 -32.75 19.69 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -61.76 -36.57 81.43 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.881 1.272 . . . . 0.0 111.609 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.91 81.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.41 0.684 . . . . 0.0 110.2 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -40.37 89.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 0.0 112.096 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.4 -44.77 90.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.29 1.036 . . . . 0.0 111.383 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.19 -37.68 88.19 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.467 ' CE1' HD23 ' A' ' 7' ' ' LEU . 3.7 m-85 -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.736 1.614 . . . . 0.0 113.156 173.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -63.89 -41.59 97.67 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.209 0.913 . . . . 0.0 112.655 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.03 -38.32 44.91 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 0.0 112.169 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.43 69.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.639 0.775 . . . . 0.0 112.126 171.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -61.5 -32.88 72.92 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.381 0.991 . . . . 0.0 113.149 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.38 -40.4 73.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.088 -1.008 . . . . 0.0 112.182 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.4 -46.49 83.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.457 0.703 . . . . 0.0 111.997 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.73 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.645 2.378 . . . . 0.0 114.051 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -55.51 -21.95 19.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -61.69 119.46 47.68 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.619 1.568 . . . . 0.0 111.06 168.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -63.12 -18.97 67.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.245 2.63 . . . . 0.0 114.227 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.55 -33.15 69.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.057 0.943 . . . . 0.0 113.178 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.02 -38.12 9.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.844 2.058 . . . . 0.0 112.566 170.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.57 -2.65 2.5 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -118.01 9.52 12.79 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.11 -48.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.615 1.566 . . . . 0.0 110.448 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 -21.32 63.15 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.72 1.146 . . . . 0.0 112.038 171.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -65.86 -34.97 79.37 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.268 -0.895 . . . . 0.0 112.17 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -68.21 -37.44 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.49 0.716 . . . . 0.0 112.316 176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.62 -47.84 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.651 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.307 0.1 OUTLIER -57.97 -40.78 81.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.833 1.197 . . . . 0.0 111.937 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.96 -37.9 82.12 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.764 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -63.77 -38.0 89.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.067 0.947 . . . . 0.0 112.323 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -72.95 -39.87 65.83 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.355 -0.841 . . . . 0.0 110.981 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.63 -35.17 68.03 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.585 -0.697 . . . . 0.0 112.079 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -66.42 -41.35 89.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.916 0.886 . . . . 0.0 112.904 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -62.72 -41.36 99.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.476 1.11 . . . . 0.0 112.619 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.42 -39.19 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.697 1.199 . . . . 0.0 112.006 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.54 -36.57 83.0 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.746 0.818 . . . . 0.0 112.983 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.41 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 31.9 m0 -77.44 -37.29 51.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.421 1.088 . . . . 0.0 112.045 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -47.9 65.75 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 111.941 170.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.02 -27.42 63.53 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 173.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 98.9 m -83.58 -27.89 28.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.788 1.235 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.24 -27.82 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.371 1.468 . . . . 0.0 112.885 168.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -69.59 162.61 27.26 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.974 1.31 . . . . 0.0 112.367 171.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 125.39 1.472 . . . . 0.0 112.919 179.338 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.02 -23.05 64.04 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 42.28 53.49 4.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.577 1.951 . . . . 0.0 114.917 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.62 -47.15 0.33 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -67.74 -41.53 83.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 121.142 1.792 . . . . 0.0 111.372 168.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -43.52 94.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.895 1.278 . . . . 0.0 112.379 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.38 -4.13 34.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.401 1.881 . . . . 0.0 114.559 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.77 -42.0 3.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.358 1.863 . . . . 0.0 109.801 -173.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -67.05 -47.95 69.79 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.13 -34.04 76.73 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.767 0.712 . . . . 0.0 112.168 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -42.9 82.79 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.259 1.424 . . . . 0.0 112.422 166.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -81.42 -24.24 37.03 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.65 -32.04 73.1 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.238 -0.914 . . . . 0.0 111.932 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.88 66.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.093 0.861 . . . . 0.0 110.655 168.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mtp -55.42 -42.51 74.24 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.552 1.069 . . . . 0.0 113.626 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.64 -30.29 52.13 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.667 ' CD1' HD12 ' B' ' 10' ' ' LEU . 5.8 mt -59.41 -47.57 84.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.242 -0.409 . . . . 0.0 110.541 163.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -58.07 -37.8 75.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.583 1.553 . . . . 0.0 114.099 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -27.43 68.36 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.933 1.693 . . . . 0.0 113.875 176.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -105.85 -33.22 8.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.421 1.488 . . . . 0.0 112.885 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -33.35 35.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.324 1.05 . . . . 0.0 111.533 165.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -58.22 -28.14 64.58 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.71 -40.56 66.06 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.871 1.214 . . . . 0.0 111.97 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.85 -32.4 69.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.794 1.238 . . . . 0.0 112.672 172.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.09 28.4 1.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.45 2.3 . . . . 0.0 113.138 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -52.39 -24.84 8.42 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.25 123.1 81.41 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.121 1.368 . . . . 0.0 109.648 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.25 -21.39 72.5 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 122.724 2.283 . . . . 0.0 113.806 -171.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.55 -32.99 67.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.401 1.081 . . . . 0.0 113.184 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -39.86 7.77 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.931 2.093 . . . . 0.0 112.263 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -56.94 -28.61 62.32 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -97.19 8.21 45.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.69 -46.91 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.088 1.355 . . . . 0.0 110.689 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -15.85 63.59 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.726 1.148 . . . . 0.0 112.478 173.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -64.07 -33.48 75.85 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.277 -0.89 . . . . 0.0 113.37 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.76 -39.99 80.0 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.55 -0.719 . . . . 0.0 111.991 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' B' ' 44' ' ' HIS . 67.5 mt -62.75 -48.65 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.579 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.13 -45.31 64.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.653 1.115 . . . . 0.0 112.606 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.97 -40.28 72.03 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.48 -40.0 89.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.636 1.175 . . . . 0.0 112.183 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.92 -39.78 66.0 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.423 -0.798 . . . . 0.0 111.02 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.96 -34.27 71.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.369 -0.832 . . . . 0.0 111.993 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -61.84 -47.45 85.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.198 0.999 . . . . 0.0 111.991 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.434 ' CD2' HG12 ' B' ' 37' ' ' ILE . 50.8 m170 -62.91 -40.9 98.99 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.454 1.102 . . . . 0.0 112.187 177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.6 -40.37 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 112.01 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.61 -41.8 99.2 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.135 -0.978 . . . . 0.0 112.761 172.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.69 -37.26 76.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.795 0.838 . . . . 0.0 111.841 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -49.27 74.44 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.371 1.468 . . . . 0.0 111.698 170.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -40.58 83.37 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.424 0.69 . . . . 0.0 112.572 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -62.23 -19.96 63.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.055 0.942 . . . . 0.0 113.498 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mm -100.25 -10.68 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.036 1.735 . . . . 0.0 113.277 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -67.95 151.7 46.7 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 121.238 -0.914 . . . . 0.0 111.252 168.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.025 1.298 . . . . 0.0 113.273 -176.331 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -175.95 -47.08 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.343 1.857 . . . . 0.0 111.318 164.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -154.32 52.16 0.66 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.775 1.23 . . . . 0.0 112.843 -172.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.451 ' CD2' ' H ' ' B' ' 53' ' ' GLY . 0.1 OUTLIER -133.72 -54.37 0.88 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.562 1.545 . . . . 0.0 109.775 -176.041 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -56.5 -43.5 79.77 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.36 1.064 . . . . 0.0 112.041 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.99 -39.41 85.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.837 1.255 . . . . 0.0 112.17 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.06 -57.34 6.28 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.314 1.046 . . . . 0.0 110.431 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -41.98 72.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.881 2.473 . . . . 0.0 112.597 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.55 -45.7 78.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 17' ' ' LEU . 19.9 mt -69.76 -35.15 74.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.86 0.755 . . . . 0.0 112.335 174.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.29 -40.53 67.96 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.834 1.253 . . . . 0.0 112.537 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -86.83 -18.25 31.44 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.06 -36.42 77.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.572 1.078 . . . . 0.0 111.987 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.28 91.45 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 167.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.64 -40.79 96.12 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -61.07 -44.74 96.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 111.534 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.76 -51.98 65.51 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.594 0.757 . . . . 0.0 111.353 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -59.17 -38.35 79.56 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.695 1.998 . . . . 0.0 113.619 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -68.13 -38.94 82.77 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.605 1.093 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -83.55 -38.99 20.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.625 0.77 . . . . 0.0 112.833 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.1 -39.41 63.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.556 0.742 . . . . 0.0 111.352 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -58.15 -35.57 71.73 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.68 -46.61 65.69 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.833 -1.167 . . . . 0.0 111.756 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -67.52 -39.86 85.08 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.714 -0.616 . . . . 0.0 112.11 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.37 42.95 1.1 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.531 1.932 . . . . 0.0 112.41 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -18.36 20.98 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 130.44 93.65 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 126.449 1.9 . . . . 0.0 111.64 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.48 -25.12 41.7 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.837 2.358 . . . . 0.0 114.601 -167.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.37 -47.31 72.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.442 1.097 . . . . 0.0 112.774 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -80.68 -39.58 26.95 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.358 1.463 . . . . 0.0 112.034 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -60.7 -16.85 43.86 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.6 m -106.65 10.44 31.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.313 1.445 . . . . 0.0 114.102 171.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.92 -36.14 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.787 1.635 . . . . 0.0 111.556 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 -19.74 34.96 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.552 1.069 . . . . 0.0 112.868 169.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.25 -32.25 58.76 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.962 -1.086 . . . . 0.0 113.186 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -67.28 -28.69 68.23 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.263 -0.898 . . . . 0.0 113.365 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.434 HG12 ' CD2' ' A' ' 44' ' ' HIS . 71.2 mt -67.35 -56.56 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 116.918 -1.515 . . . . 0.0 108.207 161.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 37.2 mt -48.2 -38.71 18.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.684 2.038 . . . . 0.0 114.648 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.73 -30.65 65.86 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.17 -35.2 61.6 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.876 1.67 . . . . 0.0 111.9 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -84.16 -36.47 22.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.798 1.639 . . . . 0.0 109.922 -165.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.67 -32.64 72.84 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.286 1.435 . . . . 0.0 112.194 165.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.49 89.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.986 0.914 . . . . 0.0 112.249 176.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 37' ' ' ILE . 47.8 m170 -64.69 -42.02 95.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 112.301 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.21 -38.69 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.836 0.854 . . . . 0.0 110.863 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.31 -46.15 79.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.964 0.802 . . . . 0.0 112.543 170.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -73.15 -39.72 65.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.5 0.72 . . . . 0.0 112.031 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.07 -43.05 77.57 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.876 1.671 . . . . 0.0 112.375 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.58 -30.69 70.36 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -74.09 -28.53 61.41 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.098 0.959 . . . . 0.0 111.946 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -92.87 -12.15 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 126.216 1.807 . . . . 0.0 113.09 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -48.29 124.6 8.12 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.177 1.791 . . . . 0.0 113.694 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.451 ' H ' ' CD2' ' B' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 126.152 1.834 . . . . 0.0 112.805 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 ptp . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -79.22 177.9 8.48 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.583 1.182 . . . . 0.0 113.661 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -98.78 36.8 1.6 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.144 2.578 . . . . 0.0 112.813 -163.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -133.29 -56.05 0.91 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -62.36 -32.08 72.82 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.687 1.585 . . . . 0.0 111.974 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -40.95 77.55 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.708 1.203 . . . . 0.0 112.588 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' B' ' 18' ' ' TYR . 27.6 mt -73.47 -48.14 35.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.744 0.818 . . . . 0.0 111.063 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -36.78 17.4 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.232 2.613 . . . . 0.0 112.721 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -68.09 -56.37 9.11 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.32 -34.95 74.54 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.144 0.883 . . . . 0.0 112.965 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.8 -44.66 82.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.251 1.421 . . . . 0.0 111.784 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -79.32 -24.71 42.63 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -65.16 -37.74 88.36 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.639 -0.663 . . . . 0.0 111.712 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.66 84.63 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.446 0.567 . . . . 0.0 109.677 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -58.04 -41.63 83.66 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.237 0.926 . . . . 0.0 113.078 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -74.68 -32.91 62.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.642 1.11 . . . . 0.0 113.237 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 5.9 mt -57.66 -41.77 82.18 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.24 -32.68 74.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.998 1.719 . . . . 0.0 114.124 175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.69 -47.67 82.61 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.943 1.247 . . . . 0.0 112.543 169.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.64 -39.12 62.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.017 0.927 . . . . 0.0 112.111 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.07 71.56 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.401 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -61.74 -33.32 73.85 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.747 1.158 . . . . 0.0 112.518 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.35 -43.51 70.05 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.193 -0.942 . . . . 0.0 112.347 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -45.55 94.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.945 0.898 . . . . 0.0 112.135 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.33 24.32 1.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.216 2.207 . . . . 0.0 114.082 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -21.74 1.91 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -58.55 131.14 85.29 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 124.699 1.2 . . . . 0.0 111.409 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -64.07 -21.96 67.94 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.13 2.553 . . . . 0.0 114.343 -171.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.98 -31.01 70.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.259 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -111.96 -33.27 6.33 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.084 1.754 . . . . 0.0 113.462 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -24.31 43.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.733 1.213 . . . . 0.0 113.684 168.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -101.87 12.99 36.08 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.949 1.7 . . . . 0.0 113.801 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.53 -46.11 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.118 1.367 . . . . 0.0 110.762 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -16.11 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.75 1.159 . . . . 0.0 112.227 170.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -40.29 83.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.852 1.261 . . . . 0.0 113.181 176.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -71.24 -34.35 70.69 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.8 mt -64.64 -49.06 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.18 0.592 . . . . 0.0 109.558 168.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.88 -45.25 64.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.298 0.953 . . . . 0.0 112.591 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.02 -39.55 79.19 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.541 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 35.9 m-20 -62.09 -39.31 92.03 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.125 0.97 . . . . 0.0 112.361 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE2' ' CE1' ' B' ' 44' ' ' HIS . 54.5 mm-40 -73.4 -38.44 65.62 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.254 -0.904 . . . . 0.0 111.091 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.01 -35.67 69.52 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.517 -0.74 . . . . 0.0 111.944 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -66.86 -42.86 84.98 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.539 0.735 . . . . 0.0 112.612 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -60.48 -42.52 96.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.154 0.982 . . . . 0.0 112.266 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.08 -37.48 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.696 1.199 . . . . 0.0 112.441 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.07 -40.56 90.96 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.027 -1.045 . . . . 0.0 112.779 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -72.22 -37.19 69.26 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.05 0.94 . . . . 0.0 111.564 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -48.75 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.791 1.637 . . . . 0.0 112.063 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.43 -39.06 85.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.733 0.778 . . . . 0.0 112.935 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -60.94 -30.55 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.889 1.276 . . . . 0.0 112.923 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -80.25 -20.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.679 1.992 . . . . 0.0 112.936 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.44 165.2 23.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.845 1.658 . . . . 0.0 112.515 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.286 1.422 . . . . 0.0 112.814 -179.447 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -151.01 130.85 13.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.296 1.438 . . . . 0.0 110.116 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -155.99 34.51 0.34 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.594 1.158 . . . . 0.0 112.92 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.51 -21.31 1.03 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -169.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -83.64 -35.3 24.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -49.9 -41.53 46.11 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.868 2.067 . . . . 0.0 112.86 165.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.675 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 67.2 mt -81.42 0.96 35.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.553 1.541 . . . . 0.0 114.907 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.5 -44.23 2.47 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.064 1.345 . . . . 0.0 110.694 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.83 -51.83 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.62 -34.48 77.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.712 0.687 . . . . 0.0 112.472 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -40.23 82.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.085 1.354 . . . . 0.0 112.456 166.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.21 -27.03 35.48 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 120.545 -1.347 . . . . 0.0 114.219 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -65.1 -36.29 83.84 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.77 0.714 . . . . 0.0 111.755 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.98 84.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.573 0.624 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtp -59.7 -40.37 87.68 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.826 0.739 . . . . 0.0 112.788 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -38.28 83.34 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.315 0.646 . . . . 0.0 111.576 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.57 -42.45 96.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.493 0.717 . . . . 0.0 112.125 167.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.461 ' CE1' HD13 ' A' ' 7' ' ' LEU . 3.6 m-85 -62.34 -34.0 75.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 113.815 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -57.77 -45.25 86.23 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.179 0.9 . . . . 0.0 112.541 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.03 -36.8 27.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.944 0.898 . . . . 0.0 112.56 -175.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.07 60.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.86 0.864 . . . . 0.0 111.964 168.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -60.42 -25.06 65.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 171.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.85 -36.37 62.34 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.515 1.507 . . . . 0.0 113.039 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.11 -37.75 75.43 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.269 0.628 . . . . 0.0 112.321 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.66 28.02 1.4 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.818 2.047 . . . . 0.0 113.692 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -51.01 -28.85 10.96 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.122 1.769 . . . . 0.0 114.702 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.41 132.29 87.79 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.689 1.596 . . . . 0.0 111.188 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.44 -21.15 71.08 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.658 2.905 . . . . 0.0 114.747 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.51 -28.58 68.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.043 1.337 . . . . 0.0 113.171 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -108.09 -35.48 6.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.831 1.652 . . . . 0.0 113.292 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -53.87 -37.08 63.33 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.842 1.201 . . . . 0.0 113.065 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -91.4 8.64 35.26 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.94 -46.72 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.039 1.336 . . . . 0.0 110.454 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.263 0.5 OUTLIER -68.23 -26.99 65.97 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.73 1.15 . . . . 0.0 111.382 172.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -56.29 -35.11 67.13 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.229 1.377 . . . . 0.0 112.476 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.26 -38.04 84.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.597 0.635 . . . . 0.0 112.097 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.51 -50.61 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 117.394 -1.288 . . . . 0.0 109.553 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -53.34 -40.19 64.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 121.377 1.899 . . . . 0.0 113.026 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.41 -39.89 74.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.905 0.775 . . . . 0.0 112.906 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.523 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 37.8 m-20 -63.12 -41.15 99.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.877 1.271 . . . . 0.0 112.217 169.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -71.61 -37.48 70.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.369 -0.832 . . . . 0.0 110.349 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.53 -36.36 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.147 -0.97 . . . . 0.0 112.088 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -64.73 -39.82 94.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.63 -0.669 . . . . 0.0 112.247 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.541 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 51.9 m170 -62.29 -48.16 81.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.309 0.959 . . . . 0.0 111.12 173.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.95 -40.51 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.656 1.182 . . . . 0.0 111.554 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -55.82 -48.3 75.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.881 1.219 . . . . 0.0 111.926 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.542 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 26.3 m0 -72.54 -38.79 67.91 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 123.346 0.658 . . . . 0.0 112.055 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.56 -46.55 89.44 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.124 1.77 . . . . 0.0 112.249 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.72 -36.9 83.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.927 0.491 . . . . 0.0 110.814 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 42.9 m -62.83 -33.7 75.78 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.84 -24.58 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.667 1.587 . . . . 0.0 113.442 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -66.46 143.67 56.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 111.887 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.063 1.316 . . . . 0.0 113.084 -179.734 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -154.9 -44.99 0.08 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -110.84 -1.96 16.31 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.334 1.453 . . . . 0.0 113.994 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -43.98 95.67 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.685 1.194 . . . . 0.0 111.797 -172.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -64.76 -31.05 72.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.86 -44.42 69.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.359 0.664 . . . . 0.0 110.917 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.262 0.2 OUTLIER -64.94 -43.07 93.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.84 0.856 . . . . 0.0 112.461 178.807 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.02 -41.33 71.18 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.3 2.24 . . . . 0.0 112.553 176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.08 -54.01 49.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.09 72.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 175.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -41.18 85.72 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.898 1.279 . . . . 0.0 113.409 163.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.31 -23.42 28.11 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.71 -37.26 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.344 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.35 90.12 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.33 0.968 . . . . 0.0 111.058 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtp -66.04 -42.55 89.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.206 0.603 . . . . 0.0 112.424 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.83 -40.14 91.51 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.754 -0.591 . . . . 0.0 111.069 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.48 98.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.224 1.009 . . . . 0.0 112.422 168.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -63.3 -32.4 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.01 94.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.235 1.014 . . . . 0.0 111.464 173.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -76.72 -40.44 48.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.704 0.802 . . . . 0.0 112.493 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.11 66.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.541 0.736 . . . . 0.0 111.84 171.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -60.23 -31.79 70.51 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.341 1.056 . . . . 0.0 113.393 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -77.31 -43.02 34.6 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.232 -0.918 . . . . 0.0 111.751 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -60.24 -30.65 69.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.213 1.005 . . . . 0.0 112.757 172.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.62 37.15 2.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.097 2.159 . . . . 0.0 113.051 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -25.56 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.863 2.065 . . . . 0.0 116.452 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.41 127.78 91.66 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.365 1.466 . . . . 0.0 111.421 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.4 -20.91 61.32 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.214 2.609 . . . . 0.0 114.377 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.14 -34.41 68.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.764 1.226 . . . . 0.0 112.883 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -92.45 -48.29 6.72 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.925 1.69 . . . . 0.0 111.994 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -52.24 -27.89 16.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 114.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -99.4 5.36 46.37 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.141 1.377 . . . . 0.0 114.35 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.503 HG11 HD11 ' B' ' 51' ' ' ILE . 52.9 t -116.12 -43.38 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.027 1.731 . . . . 0.0 110.946 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.9 OUTLIER -67.29 -19.31 65.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.147 1.34 . . . . 0.0 111.742 166.439 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.0 -36.71 70.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.324 1.049 . . . . 0.0 113.584 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' B' ' 47' ' ' TRP . 1.1 tpmt? -75.92 -37.58 58.58 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.628 -0.67 . . . . 0.0 112.388 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 3.8 mt -59.65 -48.79 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.235 163.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -56.27 -43.0 78.37 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.574 1.534 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -67.78 -40.73 83.97 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.783 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -64.52 -38.97 92.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 112.387 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.654 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 43.0 mm-40 -72.4 -38.99 68.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.413 -0.804 . . . . 0.0 109.805 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -58.34 -36.56 73.62 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.255 -0.903 . . . . 0.0 112.175 169.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.23 -39.97 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.702 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 53.4 m170 -63.44 -44.88 93.26 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.57 1.077 . . . . 0.0 110.948 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.78 -37.88 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.482 1.113 . . . . 0.0 111.737 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.43 -49.17 73.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 120.823 1.647 . . . . 0.0 111.743 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HZ3' ' N ' ' B' ' 37' ' ' ILE . 24.4 m0 -72.66 -41.37 65.49 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.375 0.67 . . . . 0.0 111.751 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.66 -47.19 77.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.685 1.594 . . . . 0.0 111.817 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.68 -43.92 91.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.067 0.547 . . . . 0.0 111.508 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -59.28 -24.6 63.39 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 33' ' ' VAL . 82.1 mt -99.1 -14.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.854 1.662 . . . . 0.0 113.118 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -74.29 24.59 0.08 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 126.168 1.787 . . . . 0.0 115.368 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.277 0 C-N-CA 126.012 1.768 . . . . 0.0 112.935 175.232 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -149.84 -32.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.792 1.237 . . . . 0.0 113.146 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -134.53 2.83 3.26 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -44.11 11.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.058 1.299 . . . . 0.0 111.596 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.51 -38.28 71.57 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.227 -0.92 . . . . 0.0 112.116 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.82 -35.6 80.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.581 1.553 . . . . 0.0 113.031 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.28 -56.1 14.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.092 1.357 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -43.81 69.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.799 2.44 . . . . 0.0 112.707 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.96 -42.81 80.32 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.6 -42.02 95.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.738 0.815 . . . . 0.0 111.911 169.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.6 -33.08 53.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.443 1.497 . . . . 0.0 112.778 170.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -91.01 -24.19 20.16 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.93 -35.11 79.6 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.388 0.995 . . . . 0.0 111.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.04 84.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.191 0.905 . . . . 0.0 110.53 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -60.14 -41.79 93.44 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.522 1.129 . . . . 0.0 112.363 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -68.39 -40.12 81.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.639 0.775 . . . . 0.0 112.017 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.19 97.36 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 169.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.3 -34.83 74.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.888 1.675 . . . . 0.0 113.765 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -60.16 -46.69 88.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.743 1.156 . . . . 0.0 112.549 170.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -75.13 -41.23 58.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.75 -41.43 70.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.317 1.047 . . . . 0.0 111.653 170.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.0 t -63.48 -36.58 84.21 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.179 0.9 . . . . 0.0 112.82 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.93 -46.01 72.7 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.381 -0.824 . . . . 0.0 111.703 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.4 -45.67 92.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.421 1.488 . . . . 0.0 111.564 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.15 34.11 0.87 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.552 2.341 . . . . 0.0 113.877 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -19.98 1.58 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -58.95 129.43 85.74 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 125.405 1.482 . . . . 0.0 111.597 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.03 -22.13 35.89 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.744 2.296 . . . . 0.0 114.78 -162.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.75 -59.07 5.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.134 0.879 . . . . 0.0 111.117 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -62.53 -44.51 96.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.616 1.567 . . . . 0.0 111.412 173.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.67 -20.09 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -100.9 -2.5 31.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.826 1.25 . . . . 0.0 114.103 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 51' ' ' ILE . 39.3 t -96.92 -52.47 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.144 1.378 . . . . 0.0 110.576 174.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.46 -18.88 65.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.463 1.029 . . . . 0.0 112.866 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.67 -34.84 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.382 0.673 . . . . 0.0 112.254 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 27.9 mtpp -68.87 -42.13 77.46 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.25 -0.906 . . . . 0.0 112.106 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.605 ' N ' ' HZ3' ' A' ' 47' ' ' TRP . 3.6 mp -62.34 -49.21 84.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 167.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.09 -41.09 64.6 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.072 1.305 . . . . 0.0 113.213 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.13 -36.97 69.54 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.61 1.096 . . . . 0.0 113.441 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.702 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 38.5 m-20 -64.17 -41.11 97.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.437 1.095 . . . . 0.0 112.19 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.624 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 37.5 mm-40 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.764 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.15 -38.52 73.65 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.12 0.568 . . . . 0.0 111.345 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -64.91 -45.08 87.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.406 0.682 . . . . 0.0 112.328 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.783 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.3 m170 -59.91 -48.58 81.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.632 1.105 . . . . 0.0 111.561 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 21.9 mm -58.05 -37.98 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.899 1.279 . . . . 0.0 112.159 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.18 -42.09 98.95 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.073 -1.017 . . . . 0.0 112.753 173.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 36' ' ' LYS . 27.6 m0 -73.37 -40.67 64.19 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.005 0.922 . . . . 0.0 111.919 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.44 -42.09 73.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.773 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.02 -46.23 82.19 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.3 m -57.7 -29.14 64.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.902 1.281 . . . . 0.0 113.029 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 33' ' ' VAL . 78.0 mt -93.19 -26.76 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 113.668 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.55 156.13 31.11 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.044 0.938 . . . . 0.0 112.208 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 C-N-CA 125.775 1.655 . . . . 0.0 112.958 179.163 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . 0.624 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . 0.654 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.173 0.511 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -136.5 168.14 20.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.393 1.877 . . . . 0.0 109.25 171.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.748 ' HE1' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER 53.99 63.59 2.13 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.149 1.379 . . . . 0.0 112.869 177.219 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.36 -54.2 0.79 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.866 2.066 . . . . 0.0 111.994 -173.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -69.39 -39.86 77.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.753 1.16 . . . . 0.0 111.354 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.7 -29.19 67.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.582 1.153 . . . . 0.0 112.2 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.08 -60.98 1.96 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.852 0.461 . . . . 0.0 110.679 169.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -44.37 35.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.14 2.576 . . . . 0.0 114.159 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -68.5 -48.88 63.26 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -173.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.4 -32.01 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.886 0.874 . . . . 0.0 112.971 170.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.38 -40.41 74.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 111.602 164.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -82.13 -17.97 44.55 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 174.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.44 -36.78 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.125 -0.985 . . . . 0.0 111.917 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.79 85.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.641 0.655 . . . . 0.0 110.913 166.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.8 mmm -66.87 -41.31 87.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.11 0.964 . . . . 0.0 113.248 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -66.99 -41.73 86.24 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.64 -0.662 . . . . 0.0 111.559 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.792 ' CD1' ' HG2' ' B' ' 6' ' ' GLU . 1.3 mt -55.83 -49.9 72.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.725 0.81 . . . . 0.0 112.012 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.66 ' CE1' HD13 ' B' ' 7' ' ' LEU . 2.1 m-85 -57.92 -38.63 76.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.599 1.56 . . . . 0.0 114.129 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -62.21 -33.84 75.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.721 0.808 . . . . 0.0 112.551 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -80.25 -40.99 25.9 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.0 0.92 . . . . 0.0 112.302 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.27 -36.46 68.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 173.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 t -57.88 -34.08 69.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.632 1.173 . . . . 0.0 113.269 170.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.66 -44.75 77.12 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.185 -0.947 . . . . 0.0 111.917 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.3 -44.67 94.36 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.945 0.898 . . . . 0.0 111.667 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.98 28.19 1.22 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.909 2.084 . . . . 0.0 114.113 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -22.91 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.51 129.57 91.27 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.766 1.226 . . . . 0.0 111.448 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.75 -23.89 62.46 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.031 2.487 . . . . 0.0 114.602 -166.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -57.01 -27.47 61.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.592 1.557 . . . . 0.0 114.009 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.01 -38.05 5.67 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.076 1.75 . . . . 0.0 112.631 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.86 -33.79 62.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -87.47 -2.75 58.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.82 -50.13 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.079 1.352 . . . . 0.0 110.414 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.271 0.9 OUTLIER -67.52 -23.0 65.4 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.482 1.037 . . . . 0.0 112.061 173.743 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -60.97 -36.68 80.04 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.734 -1.229 . . . . 0.0 113.656 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -69.0 -34.47 75.32 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.24 -0.912 . . . . 0.0 112.384 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.51 -50.7 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.001 0.92 . . . . 0.0 109.203 166.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -52.4 -38.6 59.41 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 120.321 1.419 . . . . 0.0 112.694 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.87 -41.93 70.72 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.742 ' OD2' ' NE2' ' B' ' 44' ' ' HIS . 22.6 m-20 -61.45 -39.3 90.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.393 1.077 . . . . 0.0 112.167 173.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -75.64 -34.23 60.52 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.986 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -60.8 -38.05 84.05 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.494 -0.754 . . . . 0.0 111.184 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -62.91 -40.41 97.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.721 0.808 . . . . 0.0 112.6 173.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.967 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 55.2 m170 -62.27 -48.73 78.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.323 0.965 . . . . 0.0 111.173 175.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.36 -39.47 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.018 0.927 . . . . 0.0 112.047 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.62 -49.9 69.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.947 0.794 . . . . 0.0 112.069 172.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 1.258 ' CZ3' HG12 ' B' ' 37' ' ' ILE . 19.7 m0 -72.67 -40.68 66.12 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.105 0.562 . . . . 0.0 111.808 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.12 -43.82 82.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.027 1.731 . . . . 0.0 112.182 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -66.87 -41.19 87.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.084 0.554 . . . . 0.0 112.051 172.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -63.4 -26.21 68.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -88.48 -17.1 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.717 1.607 . . . . 0.0 113.204 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.32 163.72 27.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.721 1.208 . . . . 0.0 111.913 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.825 1.679 . . . . 0.0 112.611 -178.471 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -156.51 -178.35 7.28 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.475 1.91 . . . . 0.0 108.841 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -114.07 0.85 14.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -102.28 -36.11 8.61 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -169.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.86 -34.89 75.3 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 118.669 0.668 . . . . 0.0 111.201 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.792 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 26.2 tt0 -54.94 -43.5 73.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.044 1.738 . . . . 0.0 112.532 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.66 HD13 ' CE1' ' A' ' 18' ' ' TYR . 93.9 mt -65.53 -54.94 21.09 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.41 1.084 . . . . 0.0 112.077 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -43.26 35.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.262 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -65.64 -51.94 55.61 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.53 -31.12 72.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -41.41 80.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.431 1.092 . . . . 0.0 112.833 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.44 -20.75 36.35 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.2 -31.53 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 119.094 0.861 . . . . 0.0 111.958 173.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.63 -48.41 48.06 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.278 0.944 . . . . 0.0 110.024 171.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mtp -53.01 -42.63 65.81 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.682 1.128 . . . . 0.0 113.282 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.7 -35.35 70.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.753 -1.217 . . . . 0.0 111.841 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.748 HD22 ' HE1' ' A' ' 3' ' ' TYR . 9.4 mt -62.41 -40.25 95.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.407 0.683 . . . . 0.0 111.038 169.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.84 -36.56 81.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.72 2.008 . . . . 0.0 113.253 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtp85 -61.44 -46.47 89.95 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.232 0.924 . . . . 0.0 112.641 172.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.34 -37.14 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.493 0.717 . . . . 0.0 112.649 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.86 64.87 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.184 0.994 . . . . 0.0 111.512 168.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t -64.57 -25.41 67.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -50.01 27.37 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.702 1.137 . . . . 0.0 111.267 172.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -66.3 -39.87 89.62 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.55 39.75 1.01 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.55 1.94 . . . . 0.0 113.14 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -17.15 1.76 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 172.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.85 135.42 77.54 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.43 1.892 . . . . 0.0 112.144 171.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.72 -15.66 33.52 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.556 2.838 . . . . 0.0 115.275 -168.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.31 -40.69 74.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.929 0.892 . . . . 0.0 112.379 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.72 -35.89 16.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.573 1.549 . . . . 0.0 112.903 172.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.94 -3.81 0.86 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -120.85 18.48 11.82 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.885 1.274 . . . . 0.0 113.744 168.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.06 -45.38 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.347 1.859 . . . . 0.0 110.411 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -20.76 60.9 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.193 -0.942 . . . . 0.0 111.629 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.36 -43.77 80.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.367 1.067 . . . . 0.0 112.324 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -70.83 -33.07 70.3 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 1.258 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 93.2 mt -66.91 -46.78 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.836 168.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -42.56 64.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.939 1.245 . . . . 0.0 112.816 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.0 -35.3 76.53 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.2 -39.01 86.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.36 1.064 . . . . 0.0 112.361 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.967 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 51.1 mm-40 -74.74 -37.64 62.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.207 -0.933 . . . . 0.0 110.823 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -36.37 69.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.76 170.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -64.77 -43.11 94.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 0.0 112.432 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.742 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 53.4 m170 -61.9 -41.76 98.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.374 1.069 . . . . 0.0 112.066 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.76 -39.57 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 111.945 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.92 -40.13 96.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.303 0.956 . . . . 0.0 112.935 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -72.22 -38.51 68.97 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.951 0.9 . . . . 0.0 111.843 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -49.68 72.95 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 170.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.91 -44.61 91.28 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -58.48 -30.15 66.77 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -85.99 -20.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.927 1.691 . . . . 0.0 114.185 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -84.27 79.41 9.55 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.18 1.392 . . . . 0.0 112.141 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.371 0 C-N-CA 126.665 2.079 . . . . 0.0 115.308 178.709 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.02 25.15 10.37 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.271 1.396 . . . . 0.0 113.691 -170.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' HE2' ' HA ' ' B' ' 21' ' ' ALA . 2.3 t80 -152.22 48.42 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.367 1.867 . . . . 0.0 110.428 -173.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.16 -51.87 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 112.146 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -57.27 -41.49 79.81 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.379 1.445 . . . . 0.0 111.835 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -22.12 65.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.688 1.595 . . . . 0.0 113.345 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.54 -51.16 5.25 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.078 1.351 . . . . 0.0 110.312 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -41.35 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.812 2.845 . . . . 0.0 113.018 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -64.93 -50.57 65.94 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.13 -35.06 77.5 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.191 0.997 . . . . 0.0 112.497 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.03 -34.88 70.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.459 1.104 . . . . 0.0 112.473 166.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -87.01 -21.11 26.34 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.27 -38.23 87.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.21 0.914 . . . . 0.0 111.36 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.11 90.17 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 118.683 0.674 . . . . 0.0 110.215 168.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -62.11 -41.82 98.61 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.93 -36.29 75.21 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.477 1.035 . . . . 0.0 112.34 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.6 -45.93 92.01 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.5 m-85 -58.19 -38.86 77.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.405 1.882 . . . . 0.0 113.288 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.94 -30.18 68.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.296 1.438 . . . . 0.0 113.696 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -96.46 -41.34 8.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.682 1.193 . . . . 0.0 112.221 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.4 -33.56 54.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.156 0.982 . . . . 0.0 111.85 167.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -57.54 -35.99 71.04 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.93 -45.29 71.18 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.962 -1.086 . . . . 0.0 112.206 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -61.24 -33.77 74.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.184 0.993 . . . . 0.0 112.631 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.15 16.93 10.33 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.693 1.997 . . . . 0.0 115.059 -175.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -45.5 -18.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 118.421 2.748 . . . . 0.0 118.421 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -63.76 124.71 85.77 Favored Pre-proline 0 CA--C 1.553 1.088 0 CA-C-N 119.351 0.978 . . . . 0.0 109.899 168.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.78 -26.95 75.09 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.751 2.301 . . . . 0.0 113.891 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.4 -33.53 30.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.511 1.524 . . . . 0.0 114.369 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -104.11 -39.51 6.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.683 1.993 . . . . 0.0 112.698 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -59.69 -22.05 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -101.19 7.56 43.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.21 1.404 . . . . 0.0 114.027 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -114.48 -44.81 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 110.994 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -15.08 63.41 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.869 1.213 . . . . 0.0 111.956 168.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.53 -36.92 81.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 46.3 mttp -65.33 -39.41 92.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.172 0.896 . . . . 0.0 112.242 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 77.6 mt -62.15 -53.19 50.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 108.28 169.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 18' ' ' TYR . 32.0 mt -50.45 -41.28 52.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.49 1.496 . . . . 0.0 113.718 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.36 -46.8 69.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.67 1.123 . . . . 0.0 113.391 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.737 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 33.8 m-20 -59.19 -35.41 73.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.825 1.65 . . . . 0.0 112.675 172.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -87.72 -33.09 18.85 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 110.893 -167.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.96 -32.55 74.1 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 111.732 163.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -59.97 -40.55 89.45 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.11 0.964 . . . . 0.0 112.117 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.706 ' CE1' HG23 ' B' ' 37' ' ' ILE . 57.8 m170 -62.55 -43.11 99.63 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.282 1.033 . . . . 0.0 111.904 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.6 -42.2 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.425 1.09 . . . . 0.0 112.041 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.53 -40.75 83.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.313 0.961 . . . . 0.0 112.558 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 1.036 ' CE3' HG13 ' B' ' 37' ' ' ILE . 22.1 m0 -75.29 -40.29 58.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.84 0.856 . . . . 0.0 111.9 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.49 -41.93 81.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.602 1.561 . . . . 0.0 113.042 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -25.22 61.98 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.808 0.843 . . . . 0.0 113.245 173.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 m -76.47 -31.18 57.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.379 1.072 . . . . 0.0 111.109 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.66 HD11 ' CG1' ' B' ' 33' ' ' VAL . 62.0 mt -76.82 -17.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.559 1.944 . . . . 0.0 112.745 174.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -57.02 142.52 41.75 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.685 1.194 . . . . 0.0 112.039 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.49 1.519 . . . . 0.0 112.837 -171.681 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ttm . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 59.64 117.36 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.825 2.05 . . . . 0.0 113.383 -160.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -141.68 30.81 1.67 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.86 1.264 . . . . 0.0 112.127 -170.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.54 -46.01 1.77 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -58.49 -41.5 85.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.667 0.787 . . . . 0.0 110.827 168.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.47 -35.58 78.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.069 0.948 . . . . 0.0 112.66 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.0 -60.68 2.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.911 0.884 . . . . 0.0 110.487 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -43.76 66.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.23 2.212 . . . . 0.0 111.748 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -67.4 -41.96 84.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.11 -35.15 69.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.154 0.888 . . . . 0.0 112.934 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.8 -39.48 65.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.271 1.429 . . . . 0.0 111.893 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.74 -18.26 35.72 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -68.33 -39.08 82.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.661 1.119 . . . . 0.0 111.447 172.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.97 88.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.71 0.686 . . . . 0.0 110.927 171.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.5 tpt -65.72 -44.66 85.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.937 1.695 . . . . 0.0 111.961 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -65.07 -36.21 83.62 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.602 -1.311 . . . . 0.0 112.492 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.46 -47.36 86.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.997 167.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.23 -33.59 74.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.872 1.669 . . . . 0.0 114.288 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.09 -47.5 71.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.526 1.13 . . . . 0.0 112.403 168.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -91.38 -31.8 15.91 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.93 0.892 . . . . 0.0 112.833 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.745 ' HA ' ' HE2' ' A' ' 3' ' ' TYR . . . -55.63 -32.18 62.94 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.395 1.478 . . . . 0.0 112.846 171.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.4 t -60.23 -38.57 83.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.099 0.96 . . . . 0.0 112.955 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.32 -38.12 51.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.112 1.365 . . . . 0.0 112.559 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -64.97 -34.27 78.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.587 1.155 . . . . 0.0 113.227 173.059 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.684 0.794 . . . . 0.0 111.808 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 48.13 17.59 0.12 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.204 2.202 . . . . 0.0 115.565 -172.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -120.63 134.69 24.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.416 1.487 . . . . 0.0 110.75 -170.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -65.83 -26.84 52.01 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.125 2.55 . . . . 0.0 114.11 -166.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -62.24 -46.51 88.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.772 0.796 . . . . 0.0 112.005 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -73.45 -39.31 65.05 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.421 1.488 . . . . 0.0 111.571 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -60.81 -4.33 0.96 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.86 2.064 . . . . 0.0 114.228 172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -123.04 12.47 9.65 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.938 1.695 . . . . 0.0 113.368 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 51' ' ' ILE . 23.6 t -121.4 -43.71 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.499 1.92 . . . . 0.0 110.691 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -17.06 59.81 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.638 1.108 . . . . 0.0 111.02 170.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -69.83 -39.56 76.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.903 1.281 . . . . 0.0 112.356 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -68.13 -39.01 82.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.428 -0.795 . . . . 0.0 112.938 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 1.036 HG13 ' CE3' ' A' ' 47' ' ' TRP . 83.9 mt -61.84 -51.3 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.726 167.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.78 -43.46 63.03 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 120.445 1.475 . . . . 0.0 113.571 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.15 -30.67 67.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.884 1.22 . . . . 0.0 113.737 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.87 -34.38 69.15 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.792 1.637 . . . . 0.0 112.754 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.651 ' OE1' ' ND1' ' A' ' 44' ' ' HIS . 6.9 tp10 -93.52 -38.14 11.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.074 1.349 . . . . 0.0 111.09 -161.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.91 -27.86 68.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.431 1.092 . . . . 0.0 111.047 163.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -65.95 -39.08 90.13 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.737 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.7 m170 -59.55 -45.17 92.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.006 0.923 . . . . 0.0 111.232 173.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 44.5 mm -56.9 -44.06 81.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.26 -43.68 78.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 120.176 1.353 . . . . 0.0 112.06 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 36' ' ' LYS . 22.2 m0 -72.71 -44.64 61.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.343 0.657 . . . . 0.0 111.421 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.01 -39.94 60.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.854 1.662 . . . . 0.0 112.327 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.48 -44.21 62.6 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.202 1.001 . . . . 0.0 112.597 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -57.72 -26.82 62.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.773 0.829 . . . . 0.0 112.665 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.62 -6.51 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 127.048 2.139 . . . . 0.0 113.297 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -130.36 62.68 1.58 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.29 1.436 . . . . 0.0 112.001 -169.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 C-N-CA 125.887 1.708 . . . . 0.0 113.542 178.118 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . 0.619 'ZN ' ' OE1' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.2 -40.36 89.82 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' HE1' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER 47.51 47.32 17.43 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.34 1.856 . . . . 0.0 114.717 174.017 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -139.94 -44.29 0.43 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.249 1.42 . . . . 0.0 113.126 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -63.08 -38.26 90.47 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 111.265 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.78 -40.99 90.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.506 1.523 . . . . 0.0 112.388 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 63.7 mt -67.36 -55.71 12.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.684 0.793 . . . . 0.0 110.808 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -47.43 45.36 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.221 2.608 . . . . 0.0 112.88 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.97 -48.69 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.33 -33.45 75.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.59 -37.68 70.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.411 1.084 . . . . 0.0 111.971 164.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.73 -19.48 41.36 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -36.07 81.43 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.986 1.266 . . . . 0.0 111.748 174.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.15 81.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.687 0.676 . . . . 0.0 110.896 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 tpp -60.3 -41.53 93.62 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.195 0.998 . . . . 0.0 112.971 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.19 -38.45 75.34 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.249 -0.907 . . . . 0.0 111.771 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' B' ' 7' ' ' LEU . 5.3 mt -58.32 -49.72 76.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.242 0.617 . . . . 0.0 111.224 167.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -54.42 -37.56 65.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.766 1.627 . . . . 0.0 114.54 172.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -60.54 -28.47 68.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.746 1.218 . . . . 0.0 113.427 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.46 -36.33 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.057 1.343 . . . . 0.0 112.626 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.74 56.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.048 0.939 . . . . 0.0 111.654 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -56.7 -34.53 67.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.533 1.133 . . . . 0.0 113.622 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -72.38 -44.45 62.52 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.007 -1.058 . . . . 0.0 111.928 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.23 -18.71 63.83 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.649 1.179 . . . . 0.0 113.465 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.72 30.2 7.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.761 2.425 . . . . 0.0 112.616 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -48.83 -25.77 2.05 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.26 133.97 95.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.801 2.04 . . . . 0.0 111.465 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -63.3 -20.23 70.01 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.719 2.279 . . . . 0.0 113.487 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -56.58 -20.34 20.39 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.994 2.118 . . . . 0.0 114.599 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -126.06 -35.05 2.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.067 1.747 . . . . 0.0 113.255 175.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -66.65 2.15 1.47 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -125.68 17.95 8.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.895 1.678 . . . . 0.0 112.662 167.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -121.98 -50.01 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.797 1.639 . . . . 0.0 110.656 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -19.98 65.44 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.406 1.003 . . . . 0.0 110.759 170.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.1 -29.9 71.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.163 1.385 . . . . 0.0 112.785 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -40.43 53.73 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.525 -0.735 . . . . 0.0 110.886 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -61.21 -48.68 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.263 1.025 . . . . 0.0 109.515 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -53.69 -40.67 66.2 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.69 1.132 . . . . 0.0 112.821 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -67.31 -43.83 80.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.951 0.796 . . . . 0.0 113.046 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 11.8 m-20 -60.25 -39.95 88.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.789 1.236 . . . . 0.0 112.18 173.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -74.8 -36.71 62.48 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.278 -0.889 . . . . 0.0 111.176 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.42 -36.2 77.59 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.651 -0.656 . . . . 0.0 111.329 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -66.15 -41.29 90.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.574 0.75 . . . . 0.0 112.534 172.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 55.9 m170 -61.59 -47.87 83.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.464 1.029 . . . . 0.0 111.521 174.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.14 -42.16 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 124.179 0.992 . . . . 0.0 111.113 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -56.26 -42.53 77.54 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.689 1.131 . . . . 0.0 112.207 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.1 m0 -75.19 -39.09 60.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 112.679 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.06 -41.83 98.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.59 -33.02 74.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.85 1.26 . . . . 0.0 112.058 169.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.2 m -71.3 -33.7 69.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.28 0.562 . . . . 0.0 111.098 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.88 -15.02 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.151 1.78 . . . . 0.0 113.174 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -104.05 34.0 3.22 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.475 1.91 . . . . 0.0 113.203 -176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 CA-C-O 118.337 -1.257 . . . . 0.0 113.732 175.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -123.34 40.24 3.77 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.074 1.306 . . . . 0.0 113.817 -160.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -134.04 51.17 2.14 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.576 1.15 . . . . 0.0 113.435 -168.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.42 -53.27 0.78 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -54.45 -34.65 61.85 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.581 1.152 . . . . 0.0 112.23 167.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.28 -46.44 64.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.477 0.711 . . . . 0.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 17' ' ' LEU . 28.3 mt -59.72 -51.65 68.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.111 0.964 . . . . 0.0 110.792 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.83 -41.45 61.79 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.969 2.508 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -56.75 13.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.97 -32.17 73.62 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.37 0.668 . . . . 0.0 112.556 175.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.63 -38.06 74.37 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.489 1.115 . . . . 0.0 113.277 165.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.35 -19.97 28.99 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 174.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -64.68 -33.92 77.09 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.305 0.957 . . . . 0.0 111.859 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.14 67.02 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.176 0.898 . . . . 0.0 110.676 170.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.87 -36.88 68.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -79.94 -32.05 40.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.482 HD22 ' HE1' ' A' ' 3' ' ' TYR . 6.1 mt -58.03 -47.43 83.11 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.417 162.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 15.3 m-85 -56.88 -42.42 79.79 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.758 1.623 . . . . 0.0 114.256 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -61.29 -28.13 68.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -103.27 -37.24 7.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.936 0.894 . . . . 0.0 112.703 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.51 -39.14 60.96 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.735 1.214 . . . . 0.0 111.419 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -65.47 -24.92 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.02 -42.34 57.48 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.02 -1.05 . . . . 0.0 111.198 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -48.99 31.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.421 1.088 . . . . 0.0 111.603 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.55 47.79 0.86 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.52 1.928 . . . . 0.0 112.339 171.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -13.35 9.96 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.27 133.16 95.36 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 126.074 1.75 . . . . 0.0 111.171 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.78 -16.3 45.85 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.37 2.713 . . . . 0.0 114.579 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.23 -64.02 0.99 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 111.15 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -37.48 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.168 0.987 . . . . 0.0 111.539 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -66.65 -0.56 2.96 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t -123.58 16.7 9.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.825 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.88 -50.94 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.869 1.668 . . . . 0.0 109.898 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -19.13 61.54 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.376 -0.828 . . . . 0.0 111.802 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.32 -34.48 68.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.931 0.892 . . . . 0.0 112.438 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -72.83 -35.5 67.3 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.384 -0.822 . . . . 0.0 112.051 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.445 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 88.2 mt -59.87 -57.78 10.15 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-O 117.338 -1.315 . . . . 0.0 108.972 164.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.32 0.5 OUTLIER -59.71 -29.39 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 121.375 1.898 . . . . 0.0 113.523 -173.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.95 -41.16 68.09 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.569 1.077 . . . . 0.0 113.798 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 11.1 m-20 -61.12 -37.52 83.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.993 1.317 . . . . 0.0 111.996 167.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.69 -36.65 43.27 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.05 1.34 . . . . 0.0 111.72 -169.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.77 -33.11 74.5 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.837 0.855 . . . . 0.0 111.538 167.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -60.24 -37.2 79.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.346 1.058 . . . . 0.0 112.482 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.1 m170 -65.7 -42.53 91.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.13 0.972 . . . . 0.0 112.279 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.06 -40.21 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.734 0.814 . . . . 0.0 110.598 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.07 -46.13 75.42 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.008 0.822 . . . . 0.0 112.741 171.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -73.58 -40.02 64.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.928 0.891 . . . . 0.0 112.363 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.19 -44.7 83.86 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.969 1.708 . . . . 0.0 111.911 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.29 -31.28 72.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.646 0.779 . . . . 0.0 112.468 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 12.1 m -74.6 -29.07 61.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.913 -0.492 . . . . 0.0 111.62 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.8 -25.1 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.094 1.358 . . . . 0.0 112.96 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.29 91.34 4.4 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.804 1.642 . . . . 0.0 112.013 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.191 0 C-N-CA 124.928 1.251 . . . . 0.0 113.229 175.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.23 -0.414 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -138.87 -49.28 0.51 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.131 0.878 . . . . 0.0 113.259 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -144.76 43.4 1.36 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pp -133.54 -52.08 0.87 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 169.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.711 1.141 . . . . 0.0 112.099 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.87 -43.29 96.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.909 0.884 . . . . 0.0 112.45 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.96 -49.31 75.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.191 0.996 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.9 65.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.948 2.499 . . . . 0.0 113.291 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.79 -53.22 35.13 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -35.33 79.44 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 112.784 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.1 -43.84 74.37 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.199 1.0 . . . . 0.0 112.431 166.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -84.32 -23.28 30.31 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.6 -35.53 77.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.074 0.852 . . . . 0.0 111.775 172.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.12 74.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.151 0.887 . . . . 0.0 110.808 169.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.53 -40.12 86.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.311 1.044 . . . . 0.0 112.716 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -41.05 80.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.325 -0.86 . . . . 0.0 111.519 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' B' ' 7' ' ' LEU . 8.3 mt -58.74 -46.98 86.19 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.854 0.862 . . . . 0.0 111.204 171.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -53.21 -43.71 67.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.526 1.53 . . . . 0.0 114.744 168.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -63.35 -31.06 72.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.96 1.254 . . . . 0.0 114.013 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.6 -39.62 13.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.012 0.925 . . . . 0.0 112.178 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.48 61.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 111.63 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 t -59.67 -38.5 81.67 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.497 1.119 . . . . 0.0 113.718 173.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.224 -0.922 . . . . 0.0 110.334 171.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB3' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -57.88 -35.98 71.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.014 1.326 . . . . 0.0 113.617 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.23 24.75 4.19 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.41 2.284 . . . . 0.0 113.948 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -17.76 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.65 119.5 44.44 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 119.604 1.093 . . . . 0.0 111.1 166.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.94 -16.31 40.9 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.936 3.091 . . . . 0.0 115.506 -156.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.25 -68.61 0.36 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.877 1.271 . . . . 0.0 110.737 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -39.76 64.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.803 1.641 . . . . 0.0 111.854 167.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -56.85 -28.59 61.88 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -95.78 3.23 53.96 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.68 -50.47 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.011 1.324 . . . . 0.0 110.403 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -19.78 65.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.516 1.053 . . . . 0.0 112.694 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -57.52 -39.97 77.72 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.902 0.881 . . . . 0.0 113.218 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.73 -39.84 88.13 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.532 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.55 -47.06 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.418 172.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.284 0.1 OUTLIER -58.72 -38.56 78.6 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.432 1.014 . . . . 0.0 111.898 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -72.73 -36.3 67.74 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.31 0.959 . . . . 0.0 113.328 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -63.87 -40.7 97.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.739 1.215 . . . . 0.0 112.555 168.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.47 -38.18 84.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.553 -0.717 . . . . 0.0 110.167 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.42 -39.61 76.57 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.164 -0.96 . . . . 0.0 112.846 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -64.89 -43.19 93.7 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.565 -0.71 . . . . 0.0 111.853 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -61.23 -42.85 99.32 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.048 0.939 . . . . 0.0 112.308 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.06 -42.58 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 111.252 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.59 -41.99 95.83 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.973 0.806 . . . . 0.0 112.575 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -73.65 -32.91 64.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.452 1.101 . . . . 0.0 112.079 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -48.84 79.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.345 1.058 . . . . 0.0 112.077 173.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -23.31 67.32 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.223 0.609 . . . . 0.0 112.456 172.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -79.84 -30.75 40.45 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.61 0.764 . . . . 0.0 112.333 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.13 -24.03 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.616 1.566 . . . . 0.0 112.801 172.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -67.13 160.09 27.51 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.144 1.378 . . . . 0.0 112.426 168.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 118.203 -1.332 . . . . 0.0 112.975 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -140.99 51.46 1.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.671 0.788 . . . . 0.0 111.326 -154.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 24' ' ' LYS . 12.1 p90 -133.02 49.34 2.32 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.645 1.178 . . . . 0.0 113.508 -165.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -126.13 -43.19 1.82 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -66.13 -36.7 83.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.808 0.843 . . . . 0.0 111.811 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.67 -42.96 99.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.383 1.473 . . . . 0.0 112.646 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 17' ' ' LEU . 40.3 mt -62.19 -55.95 23.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -43.49 70.38 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 128.581 2.753 . . . . 0.0 112.716 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.35 -48.55 72.59 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.64 -36.69 85.07 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.203 0.91 . . . . 0.0 112.28 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.89 -37.4 68.81 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.676 1.19 . . . . 0.0 113.448 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -88.56 -24.09 22.97 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -66.97 -35.26 79.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.944 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.3 80.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.306 0.957 . . . . 0.0 110.486 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -43.83 93.56 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.066 0.946 . . . . 0.0 113.009 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.37 -36.45 79.22 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.45 -1.406 . . . . 0.0 112.761 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.44 -42.67 87.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.09 0.556 . . . . 0.0 111.553 167.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.27 -43.13 99.53 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.866 1.666 . . . . 0.0 113.063 175.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -44.59 83.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.988 1.315 . . . . 0.0 111.627 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.09 -35.22 21.96 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.1 -33.94 65.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.284 0.633 . . . . 0.0 111.661 170.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -56.05 -30.92 62.64 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.138 0.975 . . . . 0.0 113.602 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.51 -44.48 74.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.03 -1.044 . . . . 0.0 112.523 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.39 -41.37 76.54 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.681 -0.637 . . . . 0.0 112.253 172.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.16 21.74 0.57 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.109 2.164 . . . . 0.0 114.13 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.03 2.23 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -58.85 130.32 85.91 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.026 0.93 . . . . 0.0 110.142 170.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -62.36 -21.89 73.32 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 122.986 2.457 . . . . 0.0 114.024 -170.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.69 -43.62 98.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 112.738 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.9 -36.79 13.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.422 1.489 . . . . 0.0 112.437 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.12 -29.02 60.08 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -97.42 11.74 35.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.98 -46.37 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.759 1.224 . . . . 0.0 110.421 172.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -18.26 63.39 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.59 1.086 . . . . 0.0 112.532 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.13 -43.0 96.0 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.864 . . . . 0.0 113.09 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -69.44 -36.6 76.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.362 -0.836 . . . . 0.0 112.656 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.3 -52.01 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.886 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.282 0.4 OUTLIER -61.12 -33.69 73.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.383 1.447 . . . . 0.0 112.714 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.95 -37.98 69.86 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.366 -0.834 . . . . 0.0 113.009 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -61.46 -38.48 87.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.535 1.134 . . . . 0.0 112.043 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -70.92 -37.9 72.93 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.135 -0.978 . . . . 0.0 111.567 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.62 -37.75 76.54 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.221 -0.924 . . . . 0.0 111.702 170.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -61.99 -43.62 98.46 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 112.314 171.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -63.09 -43.1 99.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.698 1.136 . . . . 0.0 112.197 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.36 -39.45 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.259 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.84 -45.17 86.63 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.675 1.125 . . . . 0.0 112.535 171.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -72.79 -37.77 67.47 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.537 -0.727 . . . . 0.0 112.389 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.46 -44.76 89.36 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.828 1.651 . . . . 0.0 111.785 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.51 -35.52 77.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.24 0.616 . . . . 0.0 112.172 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -71.15 -21.98 62.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.968 0.507 . . . . 0.0 112.333 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.02 -16.29 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.098 1.759 . . . . 0.0 113.604 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.78 154.64 36.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.309 173.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.167 0 C-N-CA 125.222 1.391 . . . . 0.0 112.937 -179.822 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.86 -52.02 34.18 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.91 45.43 0.13 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -171.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.96 -51.09 0.6 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 169.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.41 69.31 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.527 -1.358 . . . . 0.0 111.864 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.33 -25.1 32.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.853 . . . . 0.0 113.292 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.55 -45.92 5.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 111.866 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -38.74 10.88 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.115 2.166 . . . . 0.0 112.57 172.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -65.41 -53.55 41.47 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.14 -36.11 82.52 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.857 0.863 . . . . 0.0 112.55 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.83 -41.69 71.0 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.839 1.256 . . . . 0.0 111.832 168.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -80.66 -25.8 38.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.03 -34.96 79.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.144 0.884 . . . . 0.0 111.975 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.52 80.21 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.779 169.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -64.01 -36.15 83.06 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.997 1.271 . . . . 0.0 112.802 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -69.71 -40.65 76.14 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.303 1.041 . . . . 0.0 111.876 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.07 -42.67 98.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.071 0.948 . . . . 0.0 112.604 168.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.48 -34.05 76.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.766 1.626 . . . . 0.0 113.117 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -54.06 -43.68 70.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.53 0.732 . . . . 0.0 112.431 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.77 -38.68 21.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.016 0.926 . . . . 0.0 113.033 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.56 -37.53 73.28 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.571 0.749 . . . . 0.0 112.309 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 t -61.14 -41.02 95.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.565 0.746 . . . . 0.0 112.83 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.58 -43.89 71.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.079 -1.013 . . . . 0.0 112.361 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.75 -29.54 67.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.589 1.156 . . . . 0.0 113.192 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.58 -58.06 8.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.604 1.161 . . . . 0.0 112.678 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER 34.81 28.39 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.543 2.337 . . . . 0.0 116.666 -169.092 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -134.86 130.43 19.6 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.621 1.569 . . . . 0.0 110.873 -172.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -67.08 -22.81 46.99 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.517 2.811 . . . . 0.0 114.708 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.06 -27.38 68.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.422 1.089 . . . . 0.0 112.884 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.25 -28.27 5.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.625 1.97 . . . . 0.0 113.913 178.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.58 -21.53 53.33 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.629 1.104 . . . . 0.0 113.965 168.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -103.41 11.07 36.99 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.219 1.408 . . . . 0.0 113.836 174.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -114.64 -44.42 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.914 1.286 . . . . 0.0 110.798 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -18.69 65.5 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.572 1.078 . . . . 0.0 112.499 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -65.17 -34.91 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.076 -1.015 . . . . 0.0 113.704 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -69.07 -39.51 79.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.061 0.846 . . . . 0.0 112.522 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.406 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 9.5 mt -60.06 -49.14 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.176 168.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.12 -40.17 60.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.412 1.46 . . . . 0.0 113.031 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.46 -36.06 63.32 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.82 -43.24 99.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.365 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.78 -33.06 71.89 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.766 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.79 -37.68 85.26 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.085 -1.009 . . . . 0.0 112.661 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -66.49 -37.98 86.26 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.994 0.815 . . . . 0.0 112.164 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -61.6 -46.44 89.84 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 0.0 111.216 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.27 -39.57 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.51 1.124 . . . . 0.0 112.037 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.21 -49.74 68.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.096 1.316 . . . . 0.0 111.649 172.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 26.7 m0 -71.47 -40.05 70.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.13 0.572 . . . . 0.0 111.355 -176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.88 -47.97 81.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.987 1.315 . . . . 0.0 112.38 174.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -32.54 70.54 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.444 -0.785 . . . . 0.0 112.301 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -62.46 -38.46 89.9 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.918 -1.114 . . . . 0.0 113.223 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.8 mm -75.87 -14.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 0.0 112.923 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -73.01 40.49 0.09 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 126.744 2.018 . . . . 0.0 114.491 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.387 1.47 . . . . 0.0 113.238 174.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.58 -50.43 0.61 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.997 0.919 . . . . 0.0 112.49 -175.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . 0.266 46.7 p90 41.66 37.8 0.8 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 127.922 2.489 . . . . 0.0 116.956 169.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.85 -47.93 0.87 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -63.12 -36.56 84.01 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.51 1.05 . . . . 0.0 111.695 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.46 -48.54 78.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.618 1.567 . . . . 0.0 112.042 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.18 -53.57 29.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.104 1.762 . . . . 0.0 112.24 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -47.24 59.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.522 1.929 . . . . 0.0 112.178 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -61.39 -44.21 97.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.53 -38.89 88.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.348 0.977 . . . . 0.0 113.017 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.02 -36.2 65.24 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.715 1.606 . . . . 0.0 112.497 167.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -86.36 -26.51 24.78 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -64.31 -36.45 84.16 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.355 -0.84 . . . . 0.0 111.048 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.86 81.61 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 122.94 0.496 . . . . 0.0 110.148 171.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -39.93 89.28 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.412 1.005 . . . . 0.0 112.287 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.81 0.844 . . . . 0.0 111.622 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.38 -43.42 88.5 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.521 0.728 . . . . 0.0 111.718 167.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.448 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 8.8 m-85 -67.59 -28.25 67.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.658 1.583 . . . . 0.0 113.531 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.31 -47.76 80.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.9 0.773 . . . . 0.0 112.833 167.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -34.89 30.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.764 -174.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.65 64.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.836 1.655 . . . . 0.0 112.138 172.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.85 -40.77 96.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.317 0.647 . . . . 0.0 112.403 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.63 -44.08 65.01 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 120.985 -1.072 . . . . 0.0 112.299 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -70.68 -23.24 62.45 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.21 23.29 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.897 0.879 . . . . 0.0 112.168 164.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER 37.29 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.995 2.118 . . . . 0.0 115.83 -166.485 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -124.99 127.35 25.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.026 1.73 . . . . 0.0 110.363 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.22 -27.6 41.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.285 2.657 . . . . 0.0 114.225 -165.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.46 -48.23 82.1 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.707 0.803 . . . . 0.0 111.712 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -60.54 -43.23 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.886 1.274 . . . . 0.0 110.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.65 -2.48 0.36 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.861 2.064 . . . . 0.0 115.278 172.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -124.71 10.1 8.35 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.296 1.438 . . . . 0.0 112.996 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.31 -42.46 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.311 1.444 . . . . 0.0 110.802 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -18.11 55.5 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.851 1.205 . . . . 0.0 111.66 173.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -64.47 -42.89 95.64 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.796 0.839 . . . . 0.0 112.135 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.96 -34.99 76.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.463 -0.773 . . . . 0.0 112.483 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.598 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.7 mt -64.35 -52.82 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.153 169.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.302 0.4 OUTLIER -60.15 -33.86 72.76 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.185 1.357 . . . . 0.0 112.752 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.7 -36.49 67.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 120.293 1.406 . . . . 0.0 113.847 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.54 -43.56 98.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.161 0.984 . . . . 0.0 111.454 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.28 -34.07 72.34 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.627 -0.671 . . . . 0.0 111.002 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -63.94 -39.64 94.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.594 0.757 . . . . 0.0 112.136 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.358 -0.839 . . . . 0.0 111.609 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.82 -17.36 22.91 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 116.879 -1.534 . . . . 0.0 113.524 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -80.81 -44.45 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 122.188 2.267 . . . . 0.0 109.075 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.1 -34.37 63.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.809 1.244 . . . . 0.0 112.002 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.406 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 36.9 m0 -80.02 -41.87 24.92 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.343 1.057 . . . . 0.0 112.329 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -48.58 80.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.791 0.837 . . . . 0.0 112.253 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -27.95 69.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.463 0.705 . . . . 0.0 112.772 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -33.02 71.0 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.221 -0.924 . . . . 0.0 112.487 171.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.42 -18.51 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 113.46 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.97 104.46 0.87 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.536 1.534 . . . . 0.0 112.022 173.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.25 1.405 . . . . 0.0 113.045 179.14 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -64.84 -38.73 91.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.904 1.282 . . . . 0.0 112.195 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.82 -42.82 85.22 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.469 1.108 . . . . 0.0 111.733 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.76 -54.48 44.64 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.904 0.882 . . . . 0.0 111.545 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -44.09 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.414 1.885 . . . . 0.0 112.24 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -64.35 -44.35 91.72 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.33 -37.77 80.88 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.463 1.029 . . . . 0.0 112.53 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.78 -40.25 66.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.183 1.793 . . . . 0.0 112.01 165.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.58 -23.03 29.83 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -68.49 -36.87 79.53 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.438 1.017 . . . . 0.0 112.019 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.58 89.03 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.629 0.65 . . . . 0.0 109.618 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.8 tpp -60.67 -41.12 94.42 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.221 0.918 . . . . 0.0 112.837 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -37.47 81.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.251 1.02 . . . . 0.0 111.545 177.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.11 -47.1 86.11 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.618 0.767 . . . . 0.0 112.085 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -61.71 -32.68 72.91 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.737 1.615 . . . . 0.0 113.651 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -53.67 -35.66 61.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.633 1.573 . . . . 0.0 112.855 171.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.65 -35.12 11.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.591 1.556 . . . . 0.0 112.489 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.86 60.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 112.013 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 t -56.58 -30.76 63.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.668 1.587 . . . . 0.0 114.401 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.8 -43.2 47.42 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.72 -1.238 . . . . 0.0 112.073 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -68.56 -34.61 76.12 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.626 -0.671 . . . . 0.0 112.508 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 25.63 0.12 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.869 2.068 . . . . 0.0 114.149 172.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -52.28 -25.65 10.0 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.23 125.82 86.39 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.93 1.292 . . . . 0.0 110.509 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.42 -16.18 42.96 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 123.095 2.53 . . . . 0.0 114.33 -165.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -66.35 -51.62 55.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.466 0.706 . . . . 0.0 110.197 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -64.68 -43.57 93.11 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.419 1.488 . . . . 0.0 111.335 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -69.91 7.54 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -126.64 13.02 7.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.661 1.584 . . . . 0.0 112.718 166.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.66 -48.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.676 1.591 . . . . 0.0 110.735 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -16.59 62.09 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.139 1.336 . . . . 0.0 112.006 169.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -66.85 -39.29 87.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.596 1.158 . . . . 0.0 112.307 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.7 mmpt? -70.04 -33.64 72.23 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.651 -0.656 . . . . 0.0 112.654 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.91 -57.93 9.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.4 mt -48.21 -43.11 31.72 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.677 1.581 . . . . 0.0 113.803 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.76 -38.07 76.62 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -68.79 -34.26 75.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.34 1.456 . . . . 0.0 112.798 171.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.73 -32.48 17.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.951 1.7 . . . . 0.0 109.976 -164.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.91 -37.12 81.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.551 1.141 . . . . 0.0 112.254 159.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -35.36 77.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.049 0.94 . . . . 0.0 112.795 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -63.89 -56.92 11.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.03 1.332 . . . . 0.0 111.734 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 mp -42.87 -44.33 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 126.074 1.75 . . . . 0.0 113.17 163.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -40.09 84.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.027 -1.045 . . . . 0.0 113.087 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -80.8 -38.73 27.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.51 1.124 . . . . 0.0 112.264 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.44 -35.89 60.97 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 125.869 1.668 . . . . 0.0 112.069 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -65.52 -41.4 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.652 0.781 . . . . 0.0 113.069 171.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.0 mt -86.57 -22.35 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.602 1.561 . . . . 0.0 113.231 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.552 1.031 0 C-N-CA 125.283 1.433 . . . . 0.0 113.008 -178.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -37.44 68.61 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.036 0.835 . . . . 0.0 111.388 169.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.37 -39.51 87.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.819 1.248 . . . . 0.0 112.744 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.01 -58.07 4.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -43.51 76.83 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.459 2.304 . . . . 0.0 112.562 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.83 -45.85 76.97 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -38.42 91.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.993 0.815 . . . . 0.0 112.371 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -42.47 69.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.571 1.548 . . . . 0.0 112.916 168.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -85.56 -23.79 27.49 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.81 -25.25 66.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.45 -0.781 . . . . 0.0 111.917 171.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -51.03 17.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.285 0.948 . . . . 0.0 110.019 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -50.5 -43.57 55.7 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.712 1.142 . . . . 0.0 113.125 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.96 -33.96 68.59 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.059 -1.026 . . . . 0.0 112.946 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.17 -40.26 95.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.197 0.453 . . . . 0.0 111.084 168.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.36 -33.06 74.98 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.685 1.594 . . . . 0.0 112.977 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -61.08 -49.98 75.13 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.791 1.178 . . . . 0.0 113.16 168.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.99 -40.26 63.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.727 0.811 . . . . 0.0 111.947 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.6 -38.8 72.54 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.878 0.871 . . . . 0.0 111.713 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.99 -34.64 76.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.752 1.16 . . . . 0.0 113.297 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.01 -41.83 99.66 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.09 -1.006 . . . . 0.0 112.352 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -73.84 -43.66 57.99 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.593 1.157 . . . . 0.0 112.324 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.71 26.98 0.17 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.582 2.353 . . . . 0.0 114.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -56.09 -18.34 9.49 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.76 134.37 86.54 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.518 1.527 . . . . 0.0 111.501 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.04 -22.34 55.13 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.125 2.55 . . . . 0.0 114.713 -168.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.06 -61.8 2.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.665 1.186 . . . . 0.0 111.436 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.09 -38.89 75.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.763 0.825 . . . . 0.0 111.981 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.14 -18.65 49.12 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -108.04 9.41 28.45 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.771 1.228 . . . . 0.0 113.813 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -114.58 -43.9 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.565 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -18.99 61.49 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.649 1.113 . . . . 0.0 112.011 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.33 -32.56 74.03 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 112.917 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.07 -42.6 66.01 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.428 -0.795 . . . . 0.0 111.241 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.91 -46.72 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 118.793 -0.623 . . . . 0.0 110.113 168.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.13 -46.52 68.83 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.954 1.252 . . . . 0.0 112.628 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.22 -37.09 77.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -61.31 -40.6 94.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.635 1.174 . . . . 0.0 112.15 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.54 -38.73 71.02 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.267 -0.896 . . . . 0.0 111.116 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.72 -35.98 75.64 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.554 -0.716 . . . . 0.0 111.456 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -59.22 -47.17 86.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.284 1.034 . . . . 0.0 112.114 170.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -63.25 -42.31 99.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.512 1.051 . . . . 0.0 111.935 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.63 -37.92 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.635 1.174 . . . . 0.0 111.465 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.92 -48.24 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.48 1.036 . . . . 0.0 111.901 170.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -69.84 -40.4 75.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.167 0.587 . . . . 0.0 111.947 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.88 -41.93 75.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.619 1.567 . . . . 0.0 111.92 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.9 -45.3 82.5 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.4 m -59.11 -27.69 65.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.087 0.955 . . . . 0.0 113.431 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.75 -18.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 0.0 113.786 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 CA--C 1.548 0.904 0 C-N-CA 124.044 0.937 . . . . 0.0 111.879 173.576 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.256 0.55 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -31.29 72.08 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.367 0.667 . . . . 0.0 111.604 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.27 -38.71 87.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.895 1.278 . . . . 0.0 112.854 171.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.553 HD23 HD13 ' B' ' 17' ' ' LEU . 76.5 mt -67.07 -52.19 45.21 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.29 1.036 . . . . 0.0 111.02 176.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -44.82 -47.28 10.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 112.748 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -66.45 -43.26 86.04 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -71.52 -31.48 67.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.896 0.878 . . . . 0.0 112.684 172.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.2 -39.73 72.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.604 1.562 . . . . 0.0 111.911 163.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -78.25 -24.75 46.76 Favored 'General case' 0 C--N 1.342 0.283 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -61.37 -34.0 74.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.514 1.052 . . . . 0.0 112.061 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.38 78.36 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.845 0.748 . . . . 0.0 111.021 171.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.46 89.66 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.289 0.95 . . . . 0.0 112.772 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -42.74 88.65 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.097 0.959 . . . . 0.0 111.782 174.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 112.268 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.04 -34.8 73.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.26 1.424 . . . . 0.0 113.487 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.08 67.28 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 174.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -92.74 -37.02 12.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.266 1.426 . . . . 0.0 112.52 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.08 72.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.029 0.932 . . . . 0.0 112.299 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -62.7 -36.06 81.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -75.07 -37.8 61.48 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.347 -0.846 . . . . 0.0 112.342 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.92 -40.57 98.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.576 1.15 . . . . 0.0 112.453 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -65.08 0.72 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.679 1.192 . . . . 0.0 112.106 173.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 44.29 23.48 0.07 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.254 2.221 . . . . 0.0 115.468 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -130.73 132.59 24.03 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.083 1.753 . . . . 0.0 109.731 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.37 -25.27 42.25 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.77 2.313 . . . . 0.0 114.179 -164.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.18 -51.51 68.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.577 0.751 . . . . 0.0 111.456 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HE2' HD12 ' B' ' 51' ' ' ILE . 12.8 mmtp -63.53 -42.3 98.45 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.712 1.205 . . . . 0.0 111.557 171.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -63.96 -8.89 12.83 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -114.21 12.24 17.68 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.409 1.484 . . . . 0.0 113.386 170.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -120.08 -37.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.768 1.627 . . . . 0.0 111.612 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -19.9 48.49 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.935 1.243 . . . . 0.0 112.325 168.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -65.57 -40.6 92.96 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.052 -1.03 . . . . 0.0 112.594 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HE3' ' CE3' ' B' ' 47' ' ' TRP . 50.7 pttt -65.13 -32.16 73.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.415 HG23 ' CE1' ' B' ' 44' ' ' HIS . 76.9 mt -69.12 -47.33 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.834 168.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.33 -39.47 72.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.97 1.259 . . . . 0.0 113.235 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.6 -33.2 70.78 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.88 -41.25 91.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.93 -36.9 70.06 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.048 -1.032 . . . . 0.0 111.2 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.76 -35.32 79.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.442 -0.787 . . . . 0.0 111.761 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.28 98.46 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.621 -0.675 . . . . 0.0 111.981 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' B' ' 37' ' ' ILE . 54.1 m170 -61.68 -44.78 96.29 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.909 0.883 . . . . 0.0 111.466 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.89 -38.66 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.922 0.889 . . . . 0.0 112.114 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -46.31 85.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.14 1.336 . . . . 0.0 112.092 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 16.0 m0 -73.34 -41.3 63.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.789 -0.57 . . . . 0.0 111.896 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.95 -45.14 87.1 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.344 1.458 . . . . 0.0 111.551 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.27 -43.9 97.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.401 0.68 . . . . 0.0 111.972 172.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -60.59 -29.14 69.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.74 0.816 . . . . 0.0 113.189 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.2 -23.17 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.0 1.72 . . . . 0.0 113.501 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 125.64 1.576 . . . . 0.0 112.458 177.144 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -107.52 -39.53 5.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.933 2.093 . . . . 0.0 108.63 -167.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.39 -51.04 61.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.804 157.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.309 0.1 OUTLIER -62.7 -47.31 84.16 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -41.65 62.79 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.293 1.837 . . . . 0.0 112.392 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.87 -50.68 65.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -37.74 84.74 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 170.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.76 -35.07 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.72 1.208 . . . . 0.0 112.9 166.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -90.69 -24.05 20.55 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -68.54 -33.39 74.02 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.075 -1.015 . . . . 0.0 111.598 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.93 93.69 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.683 0.674 . . . . 0.0 110.297 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -62.76 -43.51 98.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -61.79 -40.83 96.58 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.476 -0.765 . . . . 0.0 112.334 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 7' ' ' LEU . 1.4 mt -60.21 -42.31 94.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 169.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.403 ' HB3' HD21 ' B' ' 38' ' ' LEU . 4.3 m-85 -65.53 -31.59 72.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.299 1.44 . . . . 0.0 113.324 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -58.67 -49.07 78.91 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 111.545 170.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -71.58 -40.96 69.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.29 0.636 . . . . 0.0 112.192 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -32.63 61.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.933 172.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -64.34 -33.37 75.7 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.604 1.093 . . . . 0.0 113.271 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -71.32 -40.04 71.02 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.046 -1.034 . . . . 0.0 112.354 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.3 93.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.336 0.655 . . . . 0.0 111.094 171.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.78 36.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.237 2.615 . . . . 0.0 113.836 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -55.96 -22.28 25.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.53 133.85 95.82 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.192 1.397 . . . . 0.0 111.31 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.5 -18.86 49.22 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.265 2.643 . . . . 0.0 114.542 -171.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.2 -58.87 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.069 0.85 . . . . 0.0 110.323 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -59.61 -42.33 92.38 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.372 1.069 . . . . 0.0 111.093 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -63.68 -4.22 2.88 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 18.6 m -118.9 9.31 11.92 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 113.433 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -113.74 -47.49 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.469 1.507 . . . . 0.0 110.21 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -19.84 60.96 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.469 1.032 . . . . 0.0 111.677 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.11 -32.38 73.48 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.372 -0.83 . . . . 0.0 112.841 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -70.0 -41.41 74.39 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.431 -0.793 . . . . 0.0 111.871 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.583 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.5 mt -61.91 -48.4 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.67 0.788 . . . . 0.0 109.581 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' B' ' 18' ' ' TYR . 17.5 mt -52.48 -45.37 66.13 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.606 1.094 . . . . 0.0 112.393 175.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.35 -40.0 77.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -62.09 -39.73 93.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 112.318 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 35.6 mm-40 -71.67 -38.48 70.63 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.607 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.07 -38.82 80.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.429 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -57.76 -46.61 84.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.66 1.184 . . . . 0.0 112.301 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.415 ' CE1' HG23 ' A' ' 37' ' ' ILE . 53.8 m170 -61.95 -42.03 98.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.155 0.982 . . . . 0.0 111.933 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -36.93 78.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.251 1.02 . . . . 0.0 111.602 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.21 -46.32 86.06 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.871 1.669 . . . . 0.0 112.045 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.531 ' CE3' ' HE3' ' A' ' 36' ' ' LYS . 18.8 m0 -72.35 -40.87 67.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.49 0.716 . . . . 0.0 111.823 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.86 -44.48 86.61 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.443 1.497 . . . . 0.0 112.18 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.44 -43.95 97.58 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.21 0.604 . . . . 0.0 111.77 170.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -61.23 -28.39 69.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HE2' ' A' ' 30' ' ' LYS . 32.6 mm -93.49 -21.22 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.563 1.545 . . . . 0.0 113.695 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 CA--C 1.55 0.965 0 C-N-CA 125.461 1.505 . . . . 0.0 112.271 177.642 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.61 -34.25 64.95 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.516 1.126 . . . . 0.0 111.939 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.7 -40.69 97.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.557 1.143 . . . . 0.0 111.334 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.12 -55.08 39.54 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.082 0.953 . . . . 0.0 111.399 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.44 84.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.092 2.557 . . . . 0.0 113.684 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -66.64 -54.11 26.85 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.494 -0.754 . . . . 0.0 112.838 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.33 -31.98 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.815 0.846 . . . . 0.0 113.043 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.585 ' OE1' ' OE2' ' B' ' 41' ' ' GLU . 2.1 mm-40 -57.68 -40.49 79.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.266 1.027 . . . . 0.0 112.9 165.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.82 -19.07 31.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -64.17 -37.79 88.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.221 -0.924 . . . . 0.0 111.601 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.79 95.07 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.216 0.462 . . . . 0.0 110.287 170.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.86 0.864 . . . . 0.0 113.219 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -63.2 -45.0 93.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.737 0.699 . . . . 0.0 111.61 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.924 HD22 HD11 ' B' ' 7' ' ' LEU . 1.1 mt -58.78 -45.79 89.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 172.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HD1' HD12 ' A' ' 34' ' ' LEU . 8.1 m-85 -59.32 -41.56 89.4 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.469 1.907 . . . . 0.0 112.887 177.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -64.86 -31.41 72.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.099 0.863 . . . . 0.0 112.827 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -87.36 -38.73 15.93 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.504 1.121 . . . . 0.0 112.313 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.93 75.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.823 0.849 . . . . 0.0 111.777 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -27.4 68.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.364 1.065 . . . . 0.0 113.625 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.27 -48.1 45.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.176 -0.953 . . . . 0.0 111.377 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -66.62 -46.5 75.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.369 0.668 . . . . 0.0 111.533 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.92 44.63 0.94 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.032 1.733 . . . . 0.0 112.608 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -15.55 27.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -63.85 132.94 95.4 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 126.457 1.903 . . . . 0.0 111.319 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.77 -18.14 57.66 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.627 2.885 . . . . 0.0 114.526 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.86 -29.34 69.47 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.181 0.901 . . . . 0.0 113.005 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.37 -36.39 5.8 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.055 1.742 . . . . 0.0 113.009 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -65.49 -3.99 5.2 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 m -116.85 12.83 14.88 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.996 1.319 . . . . 0.0 113.351 168.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' B' ' 51' ' ' ILE . 29.4 t -117.63 -50.38 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.937 1.695 . . . . 0.0 110.194 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' HD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -69.12 -19.2 64.04 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.259 0.936 . . . . 0.0 111.746 171.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -61.5 -34.82 76.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.059 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 0.1 OUTLIER -74.37 -41.11 61.56 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.193 0.997 . . . . 0.0 111.824 -177.211 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.42 HG13 ' CE3' ' B' ' 47' ' ' TRP . 78.6 mt -64.0 -45.17 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.373 0.669 . . . . 0.0 109.526 167.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 18' ' ' TYR . 17.3 mt -54.76 -39.79 68.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.086 1.312 . . . . 0.0 113.088 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.28 0.946 . . . . 0.0 112.399 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.78 -38.99 87.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 0.0 112.325 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.993 ' OE2' ' ND1' ' B' ' 44' ' ' HIS . 51.6 mm-40 -76.18 -38.3 56.76 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.922 -1.111 . . . . 0.0 111.323 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.64 -35.84 75.19 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.442 -0.786 . . . . 0.0 111.539 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -63.66 -39.78 95.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.9 0.88 . . . . 0.0 112.539 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.74 ' CE1' ' HB3' ' B' ' 40' ' ' ASP . 56.0 m170 -63.68 -48.23 78.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 119.513 1.052 . . . . 0.0 111.595 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.02 -37.4 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.389 0.675 . . . . 0.0 112.044 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.07 -49.02 74.98 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.521 1.055 . . . . 0.0 112.682 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CH2' ' HB3' ' B' ' 36' ' ' LYS . 33.2 m0 -72.22 -39.88 68.19 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.535 -0.728 . . . . 0.0 112.258 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.19 -28.22 51.48 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.822 1.649 . . . . 0.0 113.375 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -40.61 15.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.827 0.851 . . . . 0.0 110.534 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -57.29 -25.72 59.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 0.0 112.775 170.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.437 HD11 HG11 ' B' ' 33' ' ' VAL . 69.9 mt -94.1 -5.8 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 126.939 2.095 . . . . 0.0 112.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 126.179 1.792 . . . . 0.0 112.517 -169.128 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -59.35 -29.0 67.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.327 1.051 . . . . 0.0 113.042 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -71.3 -48.38 51.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.473 1.109 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 17' ' ' LEU . 9.9 mp -64.87 -47.4 77.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.237 1.415 . . . . 0.0 112.227 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -45.54 -37.2 5.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.968 2.507 . . . . 0.0 114.548 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.19 -55.38 12.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.85 -36.05 81.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.309 1.044 . . . . 0.0 112.261 171.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.29 -39.49 75.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.156 1.383 . . . . 0.0 111.839 170.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -85.95 -19.81 29.89 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.44 -34.68 78.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.015 0.825 . . . . 0.0 112.229 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -43.05 77.77 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 118.664 0.665 . . . . 0.0 110.31 171.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.01 -40.71 94.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.352 0.978 . . . . 0.0 112.67 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -64.06 -41.01 97.5 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.283 -0.886 . . . . 0.0 112.338 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.67 -44.36 96.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.134 0.574 . . . . 0.0 112.126 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' B' ' 38' ' ' LEU . 10.4 m-85 -63.96 -34.01 77.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.97 0.908 . . . . 0.0 112.942 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -39.78 27.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.805 0.73 . . . . 0.0 112.525 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.45 66.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.569 1.148 . . . . 0.0 112.082 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.1 t -60.91 -34.44 74.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.231 1.012 . . . . 0.0 112.912 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -72.11 -42.74 65.74 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.988 -1.07 . . . . 0.0 112.04 173.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -30.06 67.02 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.708 1.203 . . . . 0.0 113.339 169.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 39.04 3.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.581 1.952 . . . . 0.0 112.739 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -20.09 5.97 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.42 134.92 85.38 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.168 1.387 . . . . 0.0 111.917 171.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.45 -23.16 51.04 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.062 2.508 . . . . 0.0 114.381 -172.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.01 -56.03 25.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.615 0.766 . . . . 0.0 112.116 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -67.89 -37.23 81.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.616 0.767 . . . . 0.0 112.448 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -62.2 -2.58 1.01 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.3 t -122.18 19.7 10.67 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 112.942 168.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 51' ' ' ILE . 42.9 t -126.15 -47.87 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.672 1.989 . . . . 0.0 110.649 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -19.4 62.54 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.586 1.085 . . . . 0.0 111.255 169.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -67.95 -33.24 74.29 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 112.63 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.792 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 9.0 mmtp -68.55 -39.99 80.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.479 0.711 . . . . 0.0 112.632 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.446 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 70.4 mt -64.18 -48.56 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.179 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 18' ' ' TYR . 23.9 mt -53.26 -41.65 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.101 1.319 . . . . 0.0 113.005 176.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.29 -46.42 80.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.06 0.845 . . . . 0.0 113.23 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.74 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 26.5 m-20 -59.02 -41.88 88.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.54 1.136 . . . . 0.0 111.933 173.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.585 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.0 mm-40 -74.47 -39.07 62.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 111.016 -176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.63 -36.59 79.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.582 -0.699 . . . . 0.0 111.569 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -63.15 -42.86 99.54 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.309 0.644 . . . . 0.0 112.488 173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.993 ' ND1' ' OE2' ' A' ' 41' ' ' GLU . 52.5 m170 -60.38 -46.3 90.45 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.311 0.96 . . . . 0.0 111.602 174.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.94 -40.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.982 0.913 . . . . 0.0 110.946 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.86 -43.32 90.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.652 0.66 . . . . 0.0 112.044 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 1.42 ' CE3' HG13 ' A' ' 37' ' ' ILE . 24.8 m0 -72.83 -42.1 64.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.829 0.852 . . . . 0.0 111.958 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.59 -43.16 84.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.724 1.61 . . . . 0.0 112.237 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -40.18 77.04 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.592 0.757 . . . . 0.0 111.841 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.2 m -59.9 -29.82 68.61 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.515 -0.741 . . . . 0.0 112.9 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 41.7 mt -91.08 -12.16 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.75 2.02 . . . . 0.0 113.14 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 124.837 1.255 . . . . 0.0 112.161 174.389 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.915 0.388 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -56.6 -33.45 66.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.409 1.484 . . . . 0.0 112.975 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.02 -47.02 84.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.919 0.887 . . . . 0.0 112.22 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.21 -55.58 23.8 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 112.235 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.57 45.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.687 2.395 . . . . 0.0 112.596 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -67.11 -43.5 82.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.19 -35.78 78.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.766 0.826 . . . . 0.0 112.68 173.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -43.31 67.33 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.494 1.517 . . . . 0.0 112.124 164.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.85 -21.74 43.77 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.21 -35.58 81.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.924 1.238 . . . . 0.0 111.984 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.08 67.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.105 0.866 . . . . 0.0 110.734 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 tpt -57.4 -40.41 78.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.33 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -41.59 79.46 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.877 -1.139 . . . . 0.0 110.431 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.46 -42.96 97.27 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.423 0.689 . . . . 0.0 111.82 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 7.1 m-85 -59.71 -37.62 79.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.121 1.768 . . . . 0.0 113.858 173.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.14 -41.98 89.58 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.951 0.9 . . . . 0.0 112.673 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -94.9 -27.89 15.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.352 1.061 . . . . 0.0 113.591 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.02 70.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.692 1.197 . . . . 0.0 111.65 166.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -57.04 -31.56 65.28 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 169.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.58 -39.99 84.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.0 -1.062 . . . . 0.0 112.418 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -49.95 56.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.198 0.599 . . . . 0.0 110.816 171.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.63 34.92 0.06 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 128.211 2.605 . . . . 0.0 114.195 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -57.3 -23.76 50.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.086 1.754 . . . . 0.0 114.441 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.33 129.05 93.04 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.741 1.217 . . . . 0.0 110.552 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.35 -21.65 60.91 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.143 2.562 . . . . 0.0 114.187 -170.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.76 -46.79 80.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.967 0.803 . . . . 0.0 111.717 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -34.39 64.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.815 1.646 . . . . 0.0 112.165 171.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -59.33 -48.79 80.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.803 0.841 . . . . 0.0 110.819 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -77.64 7.96 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.39 -53.21 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.77 1.228 . . . . 0.0 110.395 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -68.15 -21.92 64.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.138 1.335 . . . . 0.0 112.606 174.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.86 -33.0 74.71 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.519 1.054 . . . . 0.0 113.257 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -68.08 -38.75 82.73 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.668 1.122 . . . . 0.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' A' ' 18' ' ' TYR . 82.8 mt -61.42 -52.46 60.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.29 165.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.328 0.2 OUTLIER -56.19 -35.24 67.04 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.16 1.8 . . . . 0.0 112.872 -178.28 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.1 -42.87 83.84 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.166 -0.959 . . . . 0.0 113.493 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -63.34 -36.68 84.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.021 1.328 . . . . 0.0 112.451 171.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -84.36 -33.37 23.85 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.162 0.985 . . . . 0.0 110.516 -165.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.85 -36.12 78.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.109 0.964 . . . . 0.0 112.219 164.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.9 -37.51 87.88 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.033 0.933 . . . . 0.0 112.964 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -60.74 -42.97 98.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.434 1.094 . . . . 0.0 112.139 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.81 -36.29 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.21 1.004 . . . . 0.0 111.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.84 -43.17 99.39 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.152 1.342 . . . . 0.0 112.688 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -69.96 -41.44 74.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.449 0.699 . . . . 0.0 111.771 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.26 -41.79 72.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.326 1.45 . . . . 0.0 111.405 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -63.53 -47.55 81.17 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.836 0.854 . . . . 0.0 112.467 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -57.43 -26.56 61.35 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.52 -10.74 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.236 1.814 . . . . 0.0 113.906 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.025 1.33 . . . . 0.0 111.794 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -57.51 -43.0 83.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.803 1.183 . . . . 0.0 111.216 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.32 -47.43 81.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.024 1.33 . . . . 0.0 112.573 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.41 -56.96 12.05 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.988 1.315 . . . . 0.0 111.198 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -45.06 68.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.736 2.014 . . . . 0.0 112.663 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -68.88 -39.13 79.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.8 -40.09 76.18 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.833 0.853 . . . . 0.0 112.414 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -38.6 56.19 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.434 1.494 . . . . 0.0 111.612 166.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -85.56 -26.41 26.18 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -69.07 -38.84 79.25 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.224 -0.922 . . . . 0.0 111.522 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.79 86.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.54 0.609 . . . . 0.0 110.592 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.0 tpt -63.87 -42.48 97.51 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.884 0.766 . . . . 0.0 112.369 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.59 -45.64 81.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.324 0.65 . . . . 0.0 111.643 168.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.26 -40.69 91.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.505 1.522 . . . . 0.0 113.829 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -59.67 -41.63 91.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.392 1.077 . . . . 0.0 112.56 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.32 -38.31 26.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.01 0.924 . . . . 0.0 112.987 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.2 65.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.658 -0.686 . . . . 0.0 112.029 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -59.29 -32.17 69.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.835 1.198 . . . . 0.0 113.14 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.12 -44.45 47.05 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.108 -0.995 . . . . 0.0 111.918 170.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -65.05 -27.86 69.08 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.593 1.157 . . . . 0.0 113.753 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.89 31.71 3.76 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.866 2.466 . . . . 0.0 112.58 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -13.58 3.78 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -169.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -58.7 127.25 82.19 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.376 1.07 . . . . 0.0 109.949 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.02 -26.39 73.84 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.797 2.332 . . . . 0.0 113.834 -171.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.0 -49.39 77.0 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.134 0.973 . . . . 0.0 112.261 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -81.18 -40.34 24.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.15 1.78 . . . . 0.0 112.533 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -58.31 -24.61 60.16 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -98.2 5.84 48.06 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.68 -46.93 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.22 1.408 . . . . 0.0 110.51 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.6 OUTLIER -68.76 -19.3 64.32 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.654 1.115 . . . . 0.0 112.752 172.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.74 -41.31 95.11 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.99 -35.67 78.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.32 0.963 . . . . 0.0 112.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.95 -51.36 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.441 169.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.292 0.3 OUTLIER -61.17 -35.03 76.02 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.671 1.123 . . . . 0.0 112.391 -177.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.18 -40.16 78.27 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.114 -0.991 . . . . 0.0 112.928 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.03 -38.12 87.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.293 1.037 . . . . 0.0 112.112 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -70.97 -38.92 72.79 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.186 -0.946 . . . . 0.0 111.321 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.26 -38.02 73.25 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.505 -0.747 . . . . 0.0 111.661 171.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -67.36 -39.06 85.69 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -62.58 -45.95 90.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 119.809 1.186 . . . . 0.0 111.373 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.96 -39.89 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 112.12 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -55.48 -49.01 73.64 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.693 1.133 . . . . 0.0 111.811 172.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -72.31 -37.79 68.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.944 0.498 . . . . 0.0 112.011 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.76 -44.32 81.67 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.816 1.646 . . . . 0.0 112.443 172.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.59 -43.64 96.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.137 0.575 . . . . 0.0 112.094 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -61.87 -30.59 70.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.256 1.022 . . . . 0.0 112.526 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -86.95 -13.64 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.054 1.741 . . . . 0.0 113.441 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 t30 . . . . . 0 CA--C 1.545 0.788 0 C-N-CA 125.389 1.475 . . . . 0.0 111.821 -178.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -70.38 -40.14 74.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.558 0.743 . . . . 0.0 111.53 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.93 -40.04 87.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.766 1.226 . . . . 0.0 111.245 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 0.1 OUTLIER -63.02 -56.15 19.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.387 1.875 . . . . 0.0 111.376 175.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -41.62 68.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.378 2.271 . . . . 0.0 112.771 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.33 -47.55 70.17 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.88 -37.71 85.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.72 0.808 . . . . 0.0 112.324 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -37.67 70.23 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.81 1.644 . . . . 0.0 113.466 168.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -86.08 -20.94 28.0 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.27 -31.32 72.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 118.385 -0.816 . . . . 0.0 112.538 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.77 64.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.943 1.247 . . . . 0.0 111.837 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 mtp -63.17 -42.27 99.36 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.634 1.106 . . . . 0.0 112.694 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -64.34 -40.99 96.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.708 0.803 . . . . 0.0 111.159 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.4 -45.32 94.83 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.593 1.157 . . . . 0.0 112.375 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.4 m-85 -61.46 -33.01 73.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.639 1.175 . . . . 0.0 113.279 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -39.99 73.9 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.149 1.38 . . . . 0.0 111.914 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -88.62 -37.83 15.31 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.734 1.214 . . . . 0.0 113.067 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -29.74 60.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.708 0.803 . . . . 0.0 112.253 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -57.79 -36.18 71.83 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.427 1.091 . . . . 0.0 113.093 170.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.2 -42.67 72.07 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.152 -0.968 . . . . 0.0 112.355 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -38.88 88.35 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 113.156 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.02 24.89 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.989 2.116 . . . . 0.0 114.29 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.81 1.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -68.48 131.43 91.62 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.927 1.691 . . . . 0.0 111.618 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.65 -28.78 77.07 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.257 2.638 . . . . 0.0 114.428 -167.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.76 -27.56 51.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.644 1.578 . . . . 0.0 114.449 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -31.77 5.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.636 1.975 . . . . 0.0 113.201 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.83 -29.54 62.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.888 0.875 . . . . 0.0 113.167 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -96.87 10.63 38.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.798 1.239 . . . . 0.0 114.076 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.08 -48.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.944 1.298 . . . . 0.0 110.21 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -22.48 64.86 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.498 1.044 . . . . 0.0 112.659 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.6 -33.46 75.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.035 0.934 . . . . 0.0 112.985 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -73.76 -37.09 65.14 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.438 -0.788 . . . . 0.0 112.351 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.42 -52.36 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 117.865 -1.064 . . . . 0.0 108.932 166.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 18' ' ' TYR . 19.2 mt -48.31 -42.18 30.31 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.138 1.335 . . . . 0.0 112.837 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.29 -39.16 82.18 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -68.51 -34.31 75.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.337 1.855 . . . . 0.0 113.134 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -39.11 23.34 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.436 1.894 . . . . 0.0 108.049 -169.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.81 -35.23 74.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 112.457 164.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -62.53 -42.48 99.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.52 -0.737 . . . . 0.0 111.847 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -61.64 -44.24 97.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.92 0.888 . . . . 0.0 111.364 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.15 -39.07 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 112.04 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.787 1.176 . . . . 0.0 112.802 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -72.3 -41.32 66.76 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.557 0.743 . . . . 0.0 111.468 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.53 -39.25 70.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.939 1.696 . . . . 0.0 112.307 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.92 -47.18 81.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.929 0.892 . . . . 0.0 112.048 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -17.88 64.28 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.4 mt -91.18 -13.97 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.52 1.928 . . . . 0.0 113.468 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 CA--C 1.553 1.061 0 C-N-CA 124.923 1.289 . . . . 0.0 113.842 -170.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -60.92 -33.95 73.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.964 1.256 . . . . 0.0 112.081 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.78 -48.58 66.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.303 1.441 . . . . 0.0 112.197 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.69 -51.16 36.97 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.609 1.564 . . . . 0.0 112.274 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -40.94 60.24 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.516 1.927 . . . . 0.0 112.314 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -60.56 -52.36 65.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.07 -36.34 81.81 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.838 0.855 . . . . 0.0 111.779 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.2 -34.77 61.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.015 164.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -93.24 -21.75 19.43 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.188 -0.945 . . . . 0.0 111.501 170.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.35 92.33 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.612 0.642 . . . . 0.0 110.369 169.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -60.43 -42.02 95.2 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.324 1.05 . . . . 0.0 112.841 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -40.47 86.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.385 -0.822 . . . . 0.0 112.838 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.88 -44.35 94.24 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 5.7 m-85 -59.42 -42.01 90.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.163 2.185 . . . . 0.0 113.589 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -59.74 -42.85 94.09 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.347 1.059 . . . . 0.0 112.329 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.73 -33.94 27.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.979 0.912 . . . . 0.0 112.806 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.76 71.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.241 1.016 . . . . 0.0 111.186 168.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -57.56 -32.71 67.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.266 1.026 . . . . 0.0 113.186 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.46 -44.74 70.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.284 -0.885 . . . . 0.0 112.249 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -65.78 -41.67 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.26 0.624 . . . . 0.0 112.3 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.62 28.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.789 2.436 . . . . 0.0 113.496 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -14.1 45.07 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.63 126.76 83.64 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.288 1.035 . . . . 0.0 109.754 167.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.33 -18.59 55.55 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.065 2.51 . . . . 0.0 114.229 -168.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -62.02 -56.28 20.6 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.351 0.978 . . . . 0.0 110.649 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -69.34 -40.72 77.38 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.349 1.46 . . . . 0.0 112.248 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -57.78 -20.83 38.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.742 1.217 . . . . 0.0 113.683 173.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -105.69 8.83 33.2 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.787 1.235 . . . . 0.0 113.967 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.1 t -114.31 -44.44 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.327 1.451 . . . . 0.0 110.811 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -17.37 62.48 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.868 1.213 . . . . 0.0 112.171 172.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -36.85 83.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.314 1.046 . . . . 0.0 113.255 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.16 -40.09 78.38 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.825 -0.547 . . . . 0.0 111.965 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.487 HG21 ' CZ ' ' B' ' 18' ' ' TYR . 65.3 mt -65.27 -46.5 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.79 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.86 -42.79 65.55 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.617 1.098 . . . . 0.0 112.491 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -69.86 -40.66 75.62 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.81 -39.63 89.68 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.539 1.135 . . . . 0.0 112.306 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -73.84 -37.35 64.85 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.026 -1.046 . . . . 0.0 111.322 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.61 -36.98 77.37 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.653 -0.654 . . . . 0.0 111.553 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -62.71 -43.72 98.08 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.87 0.868 . . . . 0.0 112.275 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -63.47 -46.26 87.0 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.4 1.0 . . . . 0.0 111.989 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.21 -39.64 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.829 0.852 . . . . 0.0 112.178 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.7 -43.97 90.18 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.865 1.211 . . . . 0.0 112.932 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -74.29 -39.27 63.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.52 0.728 . . . . 0.0 111.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.28 -41.23 72.0 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.336 1.454 . . . . 0.0 111.817 171.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.71 -46.81 80.74 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -21.46 66.75 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 29.2 mm -92.92 -18.48 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.856 1.662 . . . . 0.0 113.594 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 124.116 0.967 . . . . 0.0 111.907 176.414 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.96 -36.33 83.61 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.587 1.085 . . . . 0.0 111.227 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.04 -41.38 74.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.363 1.465 . . . . 0.0 112.051 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.649 HD23 HD13 ' B' ' 17' ' ' LEU . 69.5 mt -73.26 -53.38 11.02 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.793 0.837 . . . . 0.0 111.823 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.83 -40.69 10.16 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.434 2.294 . . . . 0.0 112.407 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -70.29 -50.5 38.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -30.78 71.62 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.89 -40.37 80.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.174 1.389 . . . . 0.0 111.039 164.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -75.82 -23.63 55.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.22 -33.68 76.37 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 111.855 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.63 84.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.535 167.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mmt -61.9 -41.28 97.71 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.553 1.069 . . . . 0.0 113.708 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.6 -38.68 87.5 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.526 -0.734 . . . . 0.0 111.659 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 7' ' ' LEU . 1.8 mt -60.74 -43.21 98.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 167.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.9 -32.53 74.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.69 1.596 . . . . 0.0 113.798 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -58.03 -44.84 87.59 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.651 1.114 . . . . 0.0 112.149 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.63 -37.16 50.68 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.01 65.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.254 1.022 . . . . 0.0 112.496 172.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -62.42 -35.74 80.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 112.97 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.95 -38.37 53.44 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.836 -1.165 . . . . 0.0 112.652 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -60.97 -34.83 75.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.062 0.945 . . . . 0.0 112.221 171.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.92 -66.53 0.56 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.546 1.139 . . . . 0.0 112.324 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 41.51 27.63 0.06 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.161 2.184 . . . . 0.0 115.153 -167.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -128.58 132.24 24.24 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.353 1.861 . . . . 0.0 110.398 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.35 -19.78 32.88 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.118 2.545 . . . . 0.0 114.461 -167.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.92 -55.92 12.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.548 1.067 . . . . 0.0 110.546 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HE2' HG12 ' B' ' 51' ' ' ILE . 5.0 tmtt? -61.99 -38.63 89.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.355 1.462 . . . . 0.0 111.794 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 36.0 tttt -64.44 -4.58 4.08 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -118.27 13.7 13.73 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.383 1.473 . . . . 0.0 113.168 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -114.92 -50.26 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.577 1.551 . . . . 0.0 110.151 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -69.17 -21.93 63.96 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.326 0.966 . . . . 0.0 112.038 174.244 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -66.16 -33.84 76.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.897 1.279 . . . . 0.0 112.287 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -75.6 -35.15 60.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.633 -0.667 . . . . 0.0 112.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.609 HG13 ' CE3' ' B' ' 47' ' ' TRP . 68.7 mt -61.26 -51.43 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.647 0.779 . . . . 0.0 109.5 163.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.98 -41.33 62.07 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.472 1.487 . . . . 0.0 112.942 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.86 -41.54 78.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -61.57 -39.55 91.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 112.305 171.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -77.24 -33.78 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 111.179 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.43 -36.91 79.31 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.096 -1.002 . . . . 0.0 111.767 167.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -60.33 -43.0 96.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.995 0.918 . . . . 0.0 111.969 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 49.7 m170 -62.58 -43.68 98.21 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 111.631 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.98 -40.71 81.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.243 1.017 . . . . 0.0 112.225 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.31 -43.41 88.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.908 1.231 . . . . 0.0 112.738 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.831 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 24.5 m0 -72.0 -42.08 66.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.582 0.753 . . . . 0.0 111.656 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.18 -43.23 78.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.632 1.573 . . . . 0.0 112.203 173.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.73 -40.93 88.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.682 0.793 . . . . 0.0 112.186 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -61.49 -31.49 71.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.811 0.844 . . . . 0.0 112.751 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -83.56 -19.38 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.533 1.533 . . . . 0.0 113.65 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.549 0.926 0 C-N-CA 124.454 1.101 . . . . 0.0 111.745 176.754 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -27.51 68.7 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.439 1.472 . . . . 0.0 113.619 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.88 -33.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.411 1.085 . . . . 0.0 113.507 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 17' ' ' LEU . 10.0 mt -77.02 -50.02 14.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.527 0.731 . . . . 0.0 109.885 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -44.17 44.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 128.96 2.904 . . . . 0.0 113.386 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -71.66 -45.32 62.33 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.5 -33.39 74.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.595 1.158 . . . . 0.0 113.269 168.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.93 -37.87 69.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.05 0.94 . . . . 0.0 112.508 163.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -83.28 -20.85 33.67 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.93 -36.07 82.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.574 1.079 . . . . 0.0 111.932 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.92 86.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.716 0.689 . . . . 0.0 110.373 171.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -39.02 93.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.157 0.983 . . . . 0.0 113.038 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -64.36 -42.05 96.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.258 1.423 . . . . 0.0 112.429 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.649 HD13 HD23 ' A' ' 7' ' ' LEU . 4.7 mt -57.99 -47.17 83.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.865 0.866 . . . . 0.0 111.176 169.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -64.03 -36.42 83.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.985 1.714 . . . . 0.0 114.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -55.19 -46.62 75.87 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.363 1.065 . . . . 0.0 112.453 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -82.54 -38.03 24.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.61 0.764 . . . . 0.0 112.604 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.86 -40.21 66.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.57 -29.05 64.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.678 1.126 . . . . 0.0 114.017 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.28 -50.4 16.19 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.052 1.296 . . . . 0.0 111.7 169.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -65.63 -19.53 65.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.752 1.221 . . . . 0.0 114.016 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.76 28.21 8.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.713 2.405 . . . . 0.0 112.843 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -19.7 1.34 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -59.45 130.02 87.32 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.963 1.705 . . . . 0.0 112.04 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.29 -27.07 41.17 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.847 2.365 . . . . 0.0 114.328 -165.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.25 -46.91 65.98 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.71 0.804 . . . . 0.0 112.639 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -81.67 -44.57 16.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.552 1.941 . . . . 0.0 111.384 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' CD2' ' B' ' 34' ' ' LEU . 66.1 tttt -60.89 -18.95 59.34 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -106.5 7.8 31.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.955 1.302 . . . . 0.0 114.381 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.98 -47.99 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.115 1.366 . . . . 0.0 110.432 171.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.8 OUTLIER -65.8 -24.02 66.83 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.564 1.075 . . . . 0.0 112.651 176.069 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -65.44 -35.66 81.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.851 0.86 . . . . 0.0 112.454 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.61 -42.1 82.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.831 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 85.8 mt -63.18 -47.43 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.933 0.893 . . . . 0.0 109.201 170.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.64 -40.05 71.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.772 1.169 . . . . 0.0 113.477 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.92 -31.4 70.27 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.599 1.091 . . . . 0.0 113.575 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.66 -38.53 70.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.686 1.195 . . . . 0.0 112.359 170.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.616 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 48.2 mm-40 -74.74 -37.84 62.4 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.866 -1.147 . . . . 0.0 111.129 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.12 -33.84 72.68 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.408 -0.807 . . . . 0.0 111.779 172.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.05 -43.36 87.69 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.74 0.816 . . . . 0.0 112.069 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.65 -41.46 94.99 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.131 0.972 . . . . 0.0 111.917 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.57 -42.2 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.293 1.037 . . . . 0.0 112.029 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.14 -41.1 96.11 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.285 -0.884 . . . . 0.0 112.942 174.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.609 ' CE3' HG13 ' A' ' 37' ' ' ILE . 41.8 m0 -73.12 -34.95 66.44 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.9 0.88 . . . . 0.0 111.417 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -47.94 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.544 1.137 . . . . 0.0 112.845 175.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -18.9 64.13 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.438 1.095 . . . . 0.0 113.654 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -90.49 -30.9 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.094 1.358 . . . . 0.0 111.232 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.527 HG12 ' HE2' ' A' ' 30' ' ' LYS . 51.5 mt -70.11 -30.57 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.652 1.581 . . . . 0.0 111.584 168.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 CA--C 1.552 1.053 0 C-N-CA 124.312 1.045 . . . . 0.0 111.541 175.561 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -61.1 -32.97 72.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.847 1.659 . . . . 0.0 111.959 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.62 -55.35 35.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.278 1.831 . . . . 0.0 111.925 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.457 HD11 HD22 ' B' ' 17' ' ' LEU . 8.0 mp -68.52 -44.5 74.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.069 1.347 . . . . 0.0 112.893 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.09 -39.07 8.82 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.956 2.102 . . . . 0.0 112.498 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -64.59 -56.42 14.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.797 0.839 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.57 -33.49 76.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.873 0.869 . . . . 0.0 112.951 173.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.87 -41.56 70.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.64 1.176 . . . . 0.0 111.463 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -83.06 -19.25 37.21 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HB3' HD13 ' B' ' 10' ' ' LEU . 15.2 mm-40 -68.84 -36.47 78.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.408 1.004 . . . . 0.0 111.769 173.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.31 70.16 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.053 0.842 . . . . 0.0 110.748 170.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mmm -57.18 -45.81 83.37 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -69.58 -33.32 72.56 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.014 -1.054 . . . . 0.0 112.169 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' B' ' 6' ' ' GLU . 8.0 mt -62.0 -46.82 87.55 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.895 167.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 37' ' ' ILE . 4.3 m-85 -58.11 -37.41 74.52 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.818 1.647 . . . . 0.0 113.317 175.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -60.42 -24.09 64.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.203 1.801 . . . . 0.0 114.605 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -112.4 -35.38 5.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.256 1.423 . . . . 0.0 111.889 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.86 25.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.512 1.525 . . . . 0.0 112.986 163.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -57.24 -40.91 78.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.837 0.855 . . . . 0.0 113.006 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -76.08 -36.56 58.9 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.058 -1.026 . . . . 0.0 112.636 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.93 -35.47 80.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.369 1.067 . . . . 0.0 113.256 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.58 -63.98 0.99 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.426 1.09 . . . . 0.0 112.053 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 45.26 22.5 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.998 2.119 . . . . 0.0 115.608 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -125.55 132.43 24.31 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.65 1.58 . . . . 0.0 109.891 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.19 -22.35 34.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.788 2.325 . . . . 0.0 114.347 -161.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.83 -51.31 62.78 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.827 0.74 . . . . 0.0 111.132 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -42.42 97.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.341 1.056 . . . . 0.0 111.055 172.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.93 1.79 2.43 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m -126.72 22.11 6.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.184 1.794 . . . . 0.0 111.977 166.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.481 HG11 HD13 ' B' ' 51' ' ' ILE . 2.2 t -122.64 -55.66 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.016 2.126 . . . . 0.0 109.24 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -21.65 64.89 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.293 0.951 . . . . 0.0 110.958 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -65.87 -33.34 75.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.394 1.077 . . . . 0.0 112.723 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.64 -40.44 63.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.228 1.011 . . . . 0.0 111.772 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.489 HG21 ' CE2' ' A' ' 18' ' ' TYR . 2.4 mt -59.22 -52.53 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.142 164.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.65 -38.57 69.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.327 1.876 . . . . 0.0 113.237 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.27 -31.16 72.25 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.411 1.005 . . . . 0.0 113.526 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.23 -23.26 35.46 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 113.551 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -104.12 -23.86 13.24 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.478 -1.389 . . . . 0.0 108.568 -160.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -42.36 76.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.55 1.54 . . . . 0.0 112.902 149.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -62.79 -40.94 98.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.426 1.09 . . . . 0.0 112.355 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.597 ' CE1' HG23 ' B' ' 37' ' ' ILE . 61.9 m170 -63.86 -40.15 95.87 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.69 -39.29 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.02 0.928 . . . . 0.0 111.635 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.98 -44.63 94.37 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.655 1.116 . . . . 0.0 112.261 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.729 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 40.5 m0 -69.88 -42.86 72.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.603 0.761 . . . . 0.0 111.782 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -53.86 -42.29 68.4 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.695 1.598 . . . . 0.0 111.89 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.38 -38.96 88.71 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 m -64.99 -30.4 71.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.986 0.812 . . . . 0.0 112.18 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.56 -16.94 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.596 1.558 . . . . 0.0 113.53 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 CA--C 1.552 1.032 0 C-N-CA 125.409 1.484 . . . . 0.0 112.829 179.256 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.669 HD12 ' H ' ' B' ' 5' ' ' ARG 0.291 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.669 ' H ' HD12 ' B' ' 4' ' ' LEU . 26.6 mtt85 -57.32 -37.85 73.14 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.502 1.501 . . . . 0.0 112.179 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 17' ' ' LEU . 17.7 tt0 -57.14 -43.83 82.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.736 0.814 . . . . 0.0 112.43 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.42 -57.57 4.67 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.363 1.465 . . . . 0.0 112.165 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -44.88 62.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.92 2.088 . . . . 0.0 112.274 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -65.88 -44.35 85.63 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 13' ' ' GLN . 12.8 mt -68.06 -38.86 82.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.211 0.914 . . . . 0.0 113.286 171.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.01 -36.8 41.34 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.598 1.159 . . . . 0.0 111.315 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -84.82 -26.93 27.13 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.56 -35.47 79.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.894 1.224 . . . . 0.0 111.504 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.95 87.41 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.552 0.615 . . . . 0.0 110.753 168.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -38.67 88.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.112 0.869 . . . . 0.0 112.923 176.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -71.47 -39.47 70.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.568 0.747 . . . . 0.0 112.145 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.457 HD22 HD11 ' A' ' 7' ' ' LEU . 5.0 mt -58.01 -48.08 81.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.66 0.784 . . . . 0.0 111.646 167.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 9.2 m-85 -54.1 -42.19 69.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.497 . . . . 0.0 114.843 170.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -63.21 -42.01 99.23 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.079 1.309 . . . . 0.0 112.85 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.35 -39.56 65.11 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.087 0.47 . . . . 0.0 112.018 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.69 63.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.987 166.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -58.52 -29.46 66.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -76.42 -49.19 17.32 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.599 1.545 . . . . 0.0 110.909 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -63.52 -36.7 84.66 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.352 1.061 . . . . 0.0 112.585 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.34 33.41 1.78 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.916 2.486 . . . . 0.0 112.429 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -20.77 0.97 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.695 1.998 . . . . 0.0 115.995 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.04 136.11 96.6 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 126.054 1.742 . . . . 0.0 112.053 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.09 -22.12 62.21 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.144 2.563 . . . . 0.0 114.67 -170.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.17 -45.99 90.94 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.038 0.835 . . . . 0.0 112.937 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -81.94 -43.13 18.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.981 1.312 . . . . 0.0 111.39 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.22 -13.15 16.24 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -111.23 6.22 20.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.642 1.177 . . . . 0.0 114.031 172.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.95 -48.74 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.782 1.633 . . . . 0.0 109.989 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -21.49 61.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.189 0.904 . . . . 0.0 112.192 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -66.81 -36.76 83.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.11 0.868 . . . . 0.0 111.937 176.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -65.49 -41.74 92.94 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.81 1.244 . . . . 0.0 112.74 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.729 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 84.7 mt -62.13 -46.87 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.983 0.913 . . . . 0.0 109.731 167.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -39.74 49.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.526 1.057 . . . . 0.0 113.028 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.66 -39.73 66.9 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.47 -40.49 94.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 112.238 171.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -76.49 -34.63 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.41 -0.806 . . . . 0.0 111.054 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.87 -37.05 73.24 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.785 -0.572 . . . . 0.0 111.562 167.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -66.94 -39.79 87.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.598 0.759 . . . . 0.0 112.858 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.431 ' CD2' HG13 ' A' ' 37' ' ' ILE . 49.9 m170 -61.7 -52.73 63.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 119.468 1.031 . . . . 0.0 111.208 175.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mm -54.37 -41.52 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 126.258 1.823 . . . . 0.0 113.316 172.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.4 -46.27 76.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.929 1.241 . . . . 0.0 112.579 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -74.17 -43.83 55.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.326 0.65 . . . . 0.0 110.945 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.89 -40.41 56.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.074 1.35 . . . . 0.0 112.316 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -65.66 -47.21 76.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -15.65 62.77 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.481 HD13 HG11 ' A' ' 33' ' ' VAL . 6.1 mt -107.46 -12.26 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.706 2.002 . . . . 0.0 113.661 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 124.652 1.181 . . . . 0.0 111.685 168.022 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.45 -30.53 68.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.302 1.041 . . . . 0.0 112.133 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -65.16 -43.03 93.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.398 0.679 . . . . 0.0 111.317 171.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.94 -51.68 68.65 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.873 0.469 . . . . 0.0 111.595 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.21 -43.22 31.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.287 2.235 . . . . 0.0 112.435 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -65.02 -51.33 62.18 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.31 -35.18 79.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 171.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.73 -35.07 68.13 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.179 1.392 . . . . 0.0 112.321 166.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -85.06 -17.61 36.89 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.98 -35.29 80.19 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.409 -1.432 . . . . 0.0 111.672 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -28.56 67.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.516 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpt -77.41 -39.53 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.489 1.116 . . . . 0.0 111.043 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -60.42 -44.95 95.25 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.249 1.02 . . . . 0.0 112.114 168.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.82 -47.7 83.89 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.035 0.534 . . . . 0.0 111.95 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.88 -30.92 70.44 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -24.7 63.13 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 171.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.94 -35.68 7.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.834 1.254 . . . . 0.0 112.565 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.89 73.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.246 0.619 . . . . 0.0 111.605 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 t -58.37 -34.82 71.11 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 114.082 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.04 -45.25 70.9 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.122 -0.986 . . . . 0.0 111.555 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.79 -39.08 90.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.23 0.612 . . . . 0.0 112.009 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 33.63 0.19 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.257 2.223 . . . . 0.0 113.559 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -18.3 47.06 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.343 -1.473 . . . . 0.0 113.774 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.45 126.35 90.41 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.228 1.411 . . . . 0.0 110.714 171.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.9 -17.8 46.73 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 114.356 -170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -65.33 -54.93 21.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.052 0.842 . . . . 0.0 110.483 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.36 90.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.018 1.327 . . . . 0.0 111.924 172.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.26 4.42 0.96 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -121.89 9.68 10.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.466 1.506 . . . . 0.0 112.965 165.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 51' ' ' ILE . 68.5 t -110.79 -53.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.018 1.727 . . . . 0.0 110.267 174.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -21.52 66.01 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.488 1.04 . . . . 0.0 111.797 172.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.92 -33.21 74.25 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.264 -0.897 . . . . 0.0 112.499 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -71.43 -40.61 70.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.168 0.987 . . . . 0.0 111.989 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.08 -55.73 16.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 118.107 -0.949 . . . . 0.0 108.603 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.73 -31.65 68.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.442 1.473 . . . . 0.0 114.652 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.32 -39.25 74.87 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.788 1.176 . . . . 0.0 112.959 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.91 -36.26 83.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.234 1.414 . . . . 0.0 112.249 168.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -81.0 -34.56 32.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.71 1.204 . . . . 0.0 111.451 -167.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.4 -35.45 77.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.361 1.065 . . . . 0.0 111.745 163.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -61.96 -37.24 84.0 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.236 -0.915 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 54.5 m170 -62.56 -43.07 99.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.473 1.109 . . . . 0.0 112.127 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.06 -41.7 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.764 1.226 . . . . 0.0 112.136 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.65 -41.77 86.81 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.244 0.929 . . . . 0.0 112.327 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CE3' HG13 ' B' ' 37' ' ' ILE . 26.3 m0 -73.59 -42.89 60.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.57 0.748 . . . . 0.0 111.683 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.0 -40.48 70.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.289 1.436 . . . . 0.0 112.046 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -70.65 -43.64 68.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -23.66 66.72 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.96 -15.73 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.029 1.731 . . . . 0.0 113.333 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 123.773 0.829 . . . . 0.0 112.452 172.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.954 -0.546 . . . . 0.0 112.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -65.83 -36.32 83.13 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.362 0.983 . . . . 0.0 112.246 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.72 -38.39 84.92 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.329 1.052 . . . . 0.0 112.681 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.47 -53.43 28.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 111.078 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -41.9 91.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 128.103 2.561 . . . . 0.0 113.183 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -63.48 -52.67 60.36 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.56 -36.81 79.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.923 0.889 . . . . 0.0 112.992 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.47 -32.95 70.72 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.568 1.147 . . . . 0.0 113.741 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.42 -16.69 24.3 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.969 1.713 . . . . 0.0 115.263 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.74 -39.48 70.03 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 111.158 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.88 84.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ttm -64.6 -44.21 91.32 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.09 -41.02 97.77 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.35 -0.844 . . . . 0.0 112.071 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.77 -46.61 77.88 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 168.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.25 -36.13 81.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.168 1.787 . . . . 0.0 113.916 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -61.54 -45.15 95.39 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.821 1.191 . . . . 0.0 112.903 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.33 -36.44 53.88 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.709 -0.619 . . . . 0.0 112.384 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.94 -38.75 65.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.797 0.839 . . . . 0.0 111.608 166.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -57.8 -33.06 68.16 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -67.82 -37.51 82.04 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.992 -1.068 . . . . 0.0 112.465 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -70.2 -46.79 63.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.523 1.129 . . . . 0.0 111.581 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 22.38 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.975 2.51 . . . . 0.0 114.73 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -27.37 1.08 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.349 2.659 . . . . 0.0 115.265 170.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -69.79 127.19 92.7 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.406 1.082 . . . . 0.0 109.81 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.46 -26.41 62.72 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.782 2.321 . . . . 0.0 114.093 -162.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.02 -50.72 71.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.496 1.118 . . . . 0.0 112.712 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.14 63.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.687 1.195 . . . . 0.0 111.957 172.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.27 -33.23 65.27 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.212 0.915 . . . . 0.0 113.18 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -89.84 2.84 54.48 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.26 -50.17 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.053 1.341 . . . . 0.0 110.219 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -70.69 -19.9 62.73 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.703 1.138 . . . . 0.0 112.607 175.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.93 -34.56 77.73 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.314 0.961 . . . . 0.0 112.788 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.95 -44.48 92.69 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.131 -0.981 . . . . 0.0 112.036 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.632 HG13 ' CE3' ' A' ' 47' ' ' TRP . 73.8 mt -63.38 -47.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.076 172.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.83 -42.47 65.18 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.097 1.317 . . . . 0.0 113.11 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.61 -37.07 65.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.823 1.192 . . . . 0.0 113.443 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -63.26 -42.35 99.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.659 1.184 . . . . 0.0 112.199 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.503 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 32.0 mm-40 -73.36 -37.3 66.11 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.422 -0.799 . . . . 0.0 110.134 -177.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.27 -37.65 78.18 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.968 -1.082 . . . . 0.0 111.583 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -61.29 -43.05 99.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.1 0.96 . . . . 0.0 112.135 172.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.15 -43.74 98.16 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 119.281 0.946 . . . . 0.0 111.501 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.02 -42.24 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.533 1.133 . . . . 0.0 111.753 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -54.61 -45.29 73.66 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.077 0.853 . . . . 0.0 112.102 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -76.24 -38.45 56.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.619 0.768 . . . . 0.0 112.307 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.85 -43.68 77.31 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.358 1.463 . . . . 0.0 112.361 173.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.61 -27.01 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -83.16 -26.57 30.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 111.493 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.4 HD11 HG11 ' A' ' 33' ' ' VAL . 1.6 mp -86.57 -22.14 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 125.474 1.51 . . . . 0.0 112.268 172.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.551 1.001 0 C-N-CA 125.396 1.478 . . . . 0.0 111.985 170.727 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -62.48 -41.58 98.89 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.107 1.363 . . . . 0.0 111.35 170.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.97 -38.9 90.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.602 1.161 . . . . 0.0 112.326 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 81.9 mt -65.85 -52.37 50.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.837 0.855 . . . . 0.0 111.608 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.21 -41.23 49.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.148 2.179 . . . . 0.0 112.967 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -63.17 -58.23 7.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.623 HD13 ' CD1' ' B' ' 17' ' ' LEU . 4.9 mp -59.75 -34.18 72.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.79 -37.68 74.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.118 1.367 . . . . 0.0 113.191 167.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -87.45 -11.7 48.28 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -72.39 -34.66 68.07 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 120.72 -1.237 . . . . 0.0 110.755 174.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.23 91.97 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.235 167.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -60.92 -46.05 92.2 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.638 1.108 . . . . 0.0 113.441 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.93 -40.58 98.08 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.428 -0.795 . . . . 0.0 112.355 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' B' ' 10' ' ' LEU . 4.6 mt -61.25 -46.72 89.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.511 0.724 . . . . 0.0 112.304 171.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.01 -32.09 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.185 1.794 . . . . 0.0 113.308 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -61.91 -15.44 43.01 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.86 -40.82 3.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.15 1.38 . . . . 0.0 112.281 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -35.34 65.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.429 0.692 . . . . 0.0 112.121 168.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -61.08 -33.31 73.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.429 1.092 . . . . 0.0 113.466 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.97 -46.14 62.86 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.222 -0.924 . . . . 0.0 111.674 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -65.32 -40.65 94.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.797 0.839 . . . . 0.0 112.548 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.54 30.74 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.247 1.819 . . . . 0.0 113.891 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -13.96 16.43 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.2 130.74 94.88 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.918 1.287 . . . . 0.0 110.743 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.68 -23.21 69.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.232 2.621 . . . . 0.0 114.462 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.98 -27.26 68.73 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.852 1.261 . . . . 0.0 113.749 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -117.95 -29.64 5.59 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.272 1.829 . . . . 0.0 113.464 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.06 -26.8 60.97 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.542 1.137 . . . . 0.0 113.619 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m -99.43 6.25 46.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.762 1.225 . . . . 0.0 114.044 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.56 -45.39 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.911 1.285 . . . . 0.0 110.35 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.65 -22.01 65.33 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.598 1.09 . . . . 0.0 112.069 172.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.51 -31.3 72.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.813 0.845 . . . . 0.0 112.773 172.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.83 -38.54 64.49 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 112.241 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.06 -50.56 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.403 163.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.77 -39.99 65.87 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.334 1.425 . . . . 0.0 113.329 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.67 -40.07 80.3 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.15 -40.04 94.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.615 1.166 . . . . 0.0 112.083 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.96 -35.22 64.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.32 -38.59 80.66 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 111.827 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -66.48 -37.96 86.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.275 0.63 . . . . 0.0 112.612 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' ND1' ' OE2' ' B' ' 41' ' ' GLU . 53.6 m170 -62.41 -45.04 94.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.309 -0.87 . . . . 0.0 111.578 172.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.37 -38.82 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.162 0.985 . . . . 0.0 112.175 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.59 -47.96 75.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.85 1.204 . . . . 0.0 112.026 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -72.57 -42.02 65.06 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.054 -0.404 . . . . 0.0 111.812 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.95 -42.18 72.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.2 1.4 . . . . 0.0 112.009 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.82 -48.45 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.59 0.756 . . . . 0.0 112.632 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -56.29 -31.35 63.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.843 1.257 . . . . 0.0 113.227 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.8 mm -86.18 -15.6 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.787 1.635 . . . . 0.0 113.524 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t30 . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 125.805 1.642 . . . . 0.0 111.783 -176.804 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -35.99 41.85 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.462 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.0 tp10 -52.98 -40.03 63.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.043 2.137 . . . . 0.0 112.79 168.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.53 -62.08 1.9 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.012 0.925 . . . . 0.0 110.892 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.27 -43.3 70.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.39 2.276 . . . . 0.0 112.571 -173.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.18 -49.09 75.66 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 17' ' ' LEU . 17.5 mt -68.7 -35.27 76.95 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.611 0.641 . . . . 0.0 112.132 176.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.11 -38.86 68.7 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.652 1.581 . . . . 0.0 112.422 165.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -85.51 -29.57 24.13 Favored 'General case' 0 C--N 1.344 0.369 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -65.67 -34.91 79.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.614 -0.679 . . . . 0.0 111.822 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.451 0.569 . . . . 0.0 110.197 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 26.4 mmm -62.88 -41.16 99.31 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -64.3 -40.42 95.91 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 10' ' ' LEU . 5.2 mt -58.46 -41.89 86.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.907 0.883 . . . . 0.0 112.228 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.45 -34.72 76.47 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 112.593 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -59.79 -46.91 87.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.657 1.183 . . . . 0.0 112.2 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.16 -40.93 51.34 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -30.55 61.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.445 0.698 . . . . 0.0 112.064 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 t -67.32 -28.29 67.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.368 0.985 . . . . 0.0 113.566 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -74.65 -43.28 56.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.288 -1.508 . . . . 0.0 111.644 165.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -68.14 -19.61 64.83 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.52 36.4 3.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.338 2.655 . . . . 0.0 111.617 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -52.35 -22.72 4.87 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -52.16 128.97 40.21 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.632 2.373 . . . . 0.0 111.798 171.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -65.89 -22.39 56.12 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.655 2.237 . . . . 0.0 113.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.68 75.76 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 112.481 173.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.33 -36.87 9.85 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 113.122 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -66.05 3.84 0.78 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.94 1.696 . . . . 0.0 115.063 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.3 m -124.86 13.35 8.52 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.916 1.687 . . . . 0.0 113.498 167.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -115.5 -49.69 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.695 1.598 . . . . 0.0 109.969 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -21.5 61.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.557 1.071 . . . . 0.0 112.299 174.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -61.1 -32.84 72.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.802 1.241 . . . . 0.0 112.301 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.26 -40.0 62.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.597 -0.689 . . . . 0.0 112.113 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.1 -52.87 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.186 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.296 0.6 OUTLIER -61.55 -30.67 70.8 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.058 1.299 . . . . 0.0 112.898 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.2 -40.86 70.92 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.039 -1.038 . . . . 0.0 113.268 172.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -61.67 -38.75 88.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.822 1.249 . . . . 0.0 112.287 171.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.407 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 53.3 mm-40 -75.09 -37.84 61.41 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.142 -0.974 . . . . 0.0 111.351 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.44 -36.83 69.44 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.321 -0.862 . . . . 0.0 111.455 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.819 0.848 . . . . 0.0 112.265 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -62.72 -38.07 89.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.116 0.966 . . . . 0.0 112.888 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.98 -42.35 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.098 0.959 . . . . 0.0 111.027 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -61.33 -42.05 98.03 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.641 -0.662 . . . . 0.0 112.221 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -70.32 -36.97 74.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.874 0.869 . . . . 0.0 111.921 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -47.64 84.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.06 1.344 . . . . 0.0 111.732 173.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.81 -42.37 97.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.198 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -35.73 75.94 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.73 -14.34 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.953 1.701 . . . . 0.0 112.89 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 CA--C 1.553 1.075 0 C-N-CA 126.158 1.783 . . . . 0.0 112.718 -176.357 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.537 0.481 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -31.14 68.75 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.651 1.18 . . . . 0.0 111.071 176.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.69 -40.64 95.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.536 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 HD13 ' B' ' 17' ' ' LEU . 49.6 mt -65.23 -50.08 67.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.859 0.864 . . . . 0.0 111.76 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.42 -40.84 12.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.217 2.607 . . . . 0.0 113.475 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.26 -53.92 25.62 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.01 -36.16 76.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.742 0.817 . . . . 0.0 112.574 170.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.51 -38.54 77.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 0.0 112.93 170.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -85.44 -23.31 27.93 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -62.48 -31.22 71.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.599 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.79 -46.88 62.05 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 119.067 0.849 . . . . 0.0 110.506 171.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.3 mmm -54.59 -43.39 72.08 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.638 1.108 . . . . 0.0 112.704 174.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.81 -38.06 76.47 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.709 -0.62 . . . . 0.0 111.937 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 3.6 mt -62.95 -38.99 93.28 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.387 0.675 . . . . 0.0 112.002 169.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -64.76 -35.68 81.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.802 1.641 . . . . 0.0 112.803 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -62.37 -42.58 99.53 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.864 0.865 . . . . 0.0 112.845 171.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.91 -43.2 36.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.966 0.906 . . . . 0.0 112.84 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.74 67.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.135 0.974 . . . . 0.0 111.648 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -63.82 -34.48 78.0 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.29 0.95 . . . . 0.0 112.834 173.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.15 -43.71 73.74 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.202 -0.937 . . . . 0.0 111.385 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -65.76 -18.98 65.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.371 1.468 . . . . 0.0 114.504 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.02 36.91 4.51 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.137 2.175 . . . . 0.0 111.959 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -50.95 -21.42 1.74 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.06 130.71 92.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.267 1.827 . . . . 0.0 111.352 173.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -63.19 -23.61 72.78 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.911 2.407 . . . . 0.0 114.027 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.54 -24.27 55.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.966 2.106 . . . . 0.0 113.965 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -36.62 3.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 113.23 170.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.93 -16.44 29.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -107.53 9.89 29.41 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.499 1.12 . . . . 0.0 113.917 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -115.76 -46.54 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.489 1.516 . . . . 0.0 110.451 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -18.91 62.39 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.242 0.928 . . . . 0.0 111.44 171.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.07 -36.71 83.93 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.411 -0.806 . . . . 0.0 112.318 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -72.09 -31.83 66.44 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.081 -1.012 . . . . 0.0 112.234 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.8 -56.82 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 117.388 -1.292 . . . . 0.0 109.272 163.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.326 1.0 OUTLIER -60.99 -24.79 66.4 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 121.469 1.94 . . . . 0.0 113.35 -175.028 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.71 -36.73 42.97 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB3' ' CE1' ' B' ' 44' ' ' HIS . 38.1 m-20 -62.19 -40.9 97.6 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.382 1.473 . . . . 0.0 111.907 165.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -82.9 -33.09 26.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.892 -166.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.53 -31.17 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.561 1.144 . . . . 0.0 112.622 163.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -38.47 89.13 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.916 0.78 . . . . 0.0 111.947 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.743 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 46.8 m170 -61.17 -37.83 84.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.298 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.23 -37.72 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.87 0.868 . . . . 0.0 110.835 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.93 -42.86 94.86 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.658 1.117 . . . . 0.0 112.129 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 20.3 m0 -70.96 -45.04 64.82 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.366 0.666 . . . . 0.0 111.446 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.5 -40.88 68.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.193 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.97 -44.39 76.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.658 0.783 . . . . 0.0 112.833 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -20.41 66.24 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.7 mt -93.09 -18.4 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.251 1.82 . . . . 0.0 113.042 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.976 1.31 . . . . 0.0 112.028 170.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -67.16 -28.99 68.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.913 0.885 . . . . 0.0 111.864 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.381 1.472 . . . . 0.0 112.494 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 96.1 mt -58.74 -56.05 27.22 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.825 1.25 . . . . 0.0 111.514 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -46.31 60.57 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.85 2.46 . . . . 0.0 112.506 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.62 -44.59 93.47 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -66.87 -38.33 86.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.89 0.768 . . . . 0.0 112.472 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -28.04 58.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.464 1.505 . . . . 0.0 113.123 167.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -95.64 -20.31 19.05 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.26 -34.46 77.48 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.837 -1.165 . . . . 0.0 112.227 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.2 98.69 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.643 0.656 . . . . 0.0 110.138 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -62.67 -42.09 99.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.865 0.866 . . . . 0.0 112.948 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.74 -40.24 91.93 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.709 -0.619 . . . . 0.0 112.385 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.759 HD13 HD23 ' A' ' 7' ' ' LEU . 1.2 mt -56.63 -44.87 81.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 168.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.43 -39.74 95.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.912 1.685 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -37.04 76.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.12 0.568 . . . . 0.0 111.843 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -83.3 -34.31 25.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.124 0.97 . . . . 0.0 113.248 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.78 67.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.625 0.77 . . . . 0.0 112.428 170.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -58.65 -32.31 68.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.8 -37.12 35.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.355 1.062 . . . . 0.0 112.249 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -60.94 -37.63 83.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.368 0.667 . . . . 0.0 112.461 169.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.32 -66.09 0.59 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.743 1.217 . . . . 0.0 111.901 170.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 43.31 25.71 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.864 2.066 . . . . 0.0 114.934 -170.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -133.32 137.81 30.04 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.394 1.878 . . . . 0.0 109.901 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.01 -24.6 45.2 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.891 2.394 . . . . 0.0 114.065 -170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -67.46 -52.07 43.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.642 0.656 . . . . 0.0 110.67 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -67.35 -42.69 83.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.049 . . . . 0.0 112.284 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.37 -33.38 63.37 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.15 10.04 35.43 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.94 -44.47 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.36 1.464 . . . . 0.0 111.078 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.97 66.27 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.922 1.237 . . . . 0.0 111.743 169.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.67 -35.4 70.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.081 1.31 . . . . 0.0 113.309 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.87 -42.46 63.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.714 0.806 . . . . 0.0 112.399 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.756 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 67.7 mt -60.78 -44.28 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.233 1.013 . . . . 0.0 110.371 168.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.87 -39.86 90.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.52 1.055 . . . . 0.0 112.471 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.96 -37.92 79.1 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.312 0.96 . . . . 0.0 112.579 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.14 -39.98 95.18 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.685 1.194 . . . . 0.0 112.365 169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.743 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 12.5 mm-40 -71.33 -36.98 71.75 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.07 -41.24 87.49 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.078 -1.014 . . . . 0.0 111.834 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -59.96 -43.22 95.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.613 0.765 . . . . 0.0 111.623 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 40' ' ' ASP . 55.6 m170 -63.4 -46.8 84.74 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.105 0.962 . . . . 0.0 112.208 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.28 -41.58 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 111.982 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.28 -44.5 92.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.23 0.923 . . . . 0.0 112.364 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -71.98 -36.38 69.78 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.621 0.768 . . . . 0.0 112.026 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -49.19 75.2 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.607 1.163 . . . . 0.0 111.558 170.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.66 -42.74 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -60.75 -34.23 74.12 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -77.44 -24.42 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.467 1.507 . . . . 0.0 112.878 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 CA--C 1.552 1.054 0 C-N-CA 126.39 1.876 . . . . 0.0 112.119 177.656 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.96 -35.89 80.98 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.09 0.956 . . . . 0.0 111.92 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.01 -36.58 81.97 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.158 1.783 . . . . 0.0 111.965 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.767 ' CD2' HD22 ' B' ' 17' ' ' LEU . 30.0 mt -73.33 -51.78 16.23 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.41 1.084 . . . . 0.0 111.489 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -41.5 67.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.622 2.369 . . . . 0.0 113.271 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.42 -49.73 68.1 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.538 HD22 HD23 ' B' ' 10' ' ' LEU . 45.8 mt -61.28 -39.57 90.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.629 0.772 . . . . 0.0 111.859 171.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.85 -36.18 67.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.223 1.409 . . . . 0.0 113.18 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.75 -22.78 22.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.45 -34.75 78.91 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.356 -0.84 . . . . 0.0 112.072 171.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.52 -39.99 80.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.889 0.768 . . . . 0.0 110.629 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmt -62.59 -39.7 94.56 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.455 1.025 . . . . 0.0 113.471 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -68.78 -38.74 80.24 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.479 -0.763 . . . . 0.0 111.922 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.53 -42.1 95.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.891 0.876 . . . . 0.0 112.434 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.548 1.539 . . . . 0.0 113.829 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtt85 -60.15 -40.32 89.45 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.915 1.234 . . . . 0.0 113.29 170.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -79.82 -42.62 23.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.742 0.817 . . . . 0.0 112.098 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.79 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.34 0.656 . . . . 0.0 112.272 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -64.96 -34.21 77.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 0.0 113.113 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.22 -40.54 82.04 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.302 -0.874 . . . . 0.0 111.637 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.69 -46.03 70.08 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.135 1.374 . . . . 0.0 112.403 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.08 29.67 0.17 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.312 2.245 . . . . 0.0 114.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -11.63 19.07 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.24 127.17 90.66 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.569 1.548 . . . . 0.0 110.41 169.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.6 -30.96 70.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.763 2.309 . . . . 0.0 113.873 -164.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.66 -47.44 76.67 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.331 1.052 . . . . 0.0 112.632 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -83.01 -36.14 25.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.696 1.599 . . . . 0.0 112.596 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -54.06 -27.67 33.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.578 1.151 . . . . 0.0 114.025 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -98.75 6.76 46.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 114.704 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.47 -46.52 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.337 1.455 . . . . 0.0 110.79 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -20.19 66.0 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.1 1.318 . . . . 0.0 112.259 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.98 -35.93 81.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.101 1.361 . . . . 0.0 113.332 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -73.41 -35.1 65.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.42 -0.8 . . . . 0.0 112.132 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.81 -50.25 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.413 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.88 -40.5 60.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.335 1.425 . . . . 0.0 113.224 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.78 -38.48 67.26 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.45 -41.01 98.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.565 1.146 . . . . 0.0 112.044 171.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 50.8 mm-40 -72.78 -35.03 67.31 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.719 -0.613 . . . . 0.0 110.31 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.75 -40.09 78.89 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.191 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -64.9 -40.39 95.01 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.687 -0.633 . . . . 0.0 112.231 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.668 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 44.7 m170 -61.99 -43.54 98.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.179 0.9 . . . . 0.0 111.59 172.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 124.498 1.119 . . . . 0.0 111.522 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.76 -48.69 77.27 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.544 1.065 . . . . 0.0 111.874 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.975 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 28.7 m0 -70.45 -40.03 73.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.337 0.655 . . . . 0.0 111.093 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -50.22 69.25 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.216 1.407 . . . . 0.0 112.014 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.54 -37.5 87.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.185 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -64.73 -30.78 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HE3' ' B' ' 30' ' ' LYS . 51.8 mt -77.65 -24.75 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.069 1.747 . . . . 0.0 112.626 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.8 t30 . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 124.326 1.051 . . . . 0.0 112.466 172.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 118.843 -0.599 . . . . 0.0 112.257 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -61.15 -33.04 72.77 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.507 1.049 . . . . 0.0 112.733 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.13 -52.0 62.48 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.807 1.243 . . . . 0.0 111.542 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.79 -55.4 23.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.687 1.595 . . . . 0.0 112.619 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -41.9 51.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.785 2.034 . . . . 0.0 112.229 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -63.08 -52.13 63.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.538 HD23 HD22 ' A' ' 10' ' ' LEU . 16.2 mt -65.05 -35.17 80.31 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.272 0.942 . . . . 0.0 112.617 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.42 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 4.0 mm-40 -55.22 -42.13 72.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.541 1.536 . . . . 0.0 112.073 166.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -84.71 -23.62 29.26 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.63 -35.39 78.83 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.292 -0.88 . . . . 0.0 111.627 172.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.43 85.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.589 0.631 . . . . 0.0 110.185 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp -59.93 -41.36 91.64 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.712 0.805 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -66.33 -41.69 89.25 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.62 0.768 . . . . 0.0 111.24 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.767 HD22 ' CD2' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.65 -47.66 83.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.863 0.465 . . . . 0.0 112.136 168.751 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.39 -40.54 94.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.907 1.683 . . . . 0.0 113.246 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -64.6 -44.31 90.99 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.141 0.882 . . . . 0.0 112.563 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -76.19 -38.1 56.98 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.123 0.569 . . . . 0.0 111.834 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.13 -42.33 72.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.56 0.744 . . . . 0.0 111.362 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -64.26 -26.25 68.41 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.98 -46.46 57.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.836 -1.165 . . . . 0.0 111.898 173.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -72.56 -46.67 53.29 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.259 1.024 . . . . 0.0 112.214 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 36.82 0.3 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.029 2.131 . . . . 0.0 112.608 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -12.2 8.73 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -173.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.4 133.7 95.75 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.424 1.49 . . . . 0.0 110.817 171.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -68.03 -17.29 45.99 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.389 2.726 . . . . 0.0 114.668 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.72 -20.59 66.0 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.864 0.84 . . . . 0.0 112.284 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HE3' HD13 ' A' ' 51' ' ' ILE . 9.1 tptm -116.57 -45.97 2.78 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.948 2.099 . . . . 0.0 112.793 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -51.73 -39.77 59.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -87.96 7.02 33.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.73 -49.63 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.261 1.424 . . . . 0.0 110.285 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -70.43 -18.14 63.01 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.416 1.007 . . . . 0.0 112.449 174.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.54 -35.65 80.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.209 -0.932 . . . . 0.0 113.206 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.31 -40.92 94.37 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.051 -1.031 . . . . 0.0 112.143 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.975 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 65.3 mt -62.85 -47.92 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.5 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.02 -44.36 60.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.395 1.452 . . . . 0.0 112.923 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.46 -38.12 71.29 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -65.9 -37.55 86.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.681 1.192 . . . . 0.0 112.586 174.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.668 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 54.6 mm-40 -74.93 -35.95 62.17 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.264 -0.897 . . . . 0.0 110.709 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.14 -37.64 75.03 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.378 -0.826 . . . . 0.0 111.723 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -62.5 -40.64 97.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.936 0.894 . . . . 0.0 112.381 173.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -65.47 -46.65 78.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 119.359 0.981 . . . . 0.0 111.919 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -38.97 63.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.617 1.167 . . . . 0.0 112.098 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -59.19 -43.97 92.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.88 1.218 . . . . 0.0 112.946 172.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -73.15 -39.89 65.32 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.754 0.822 . . . . 0.0 111.692 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.02 -38.79 71.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.67 1.588 . . . . 0.0 112.057 171.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.54 -44.08 75.29 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.12 0.568 . . . . 0.0 112.103 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -27.37 68.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 31.1 mm -89.39 -16.05 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.972 1.709 . . . . 0.0 113.319 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 123.94 0.896 . . . . 0.0 112.538 178.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -29.45 70.8 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.173 0.897 . . . . 0.0 112.925 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.7 -54.61 45.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.76 1.224 . . . . 0.0 111.486 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' B' ' 18' ' ' TYR . 10.3 mp -63.38 -45.47 90.98 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 125.057 1.343 . . . . 0.0 112.364 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -42.14 67.96 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.122 1.769 . . . . 0.0 112.19 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -64.01 -52.23 60.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.6 -31.46 72.51 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.708 0.685 . . . . 0.0 112.831 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.74 -38.29 75.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.896 1.679 . . . . 0.0 111.744 166.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.99 -23.27 23.87 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -66.84 -34.5 77.94 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.108 -0.995 . . . . 0.0 112.044 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.63 -40.94 84.6 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 118.713 0.688 . . . . 0.0 110.566 170.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.49 -42.31 99.4 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.247 0.93 . . . . 0.0 113.001 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.35 -44.97 92.61 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.454 1.024 . . . . 0.0 111.512 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.14 -48.77 79.22 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.929 . . . . 0.0 111.991 172.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CE1' HD23 ' B' ' 7' ' ' LEU . 6.4 m-85 -57.62 -42.03 82.48 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 173.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.01 -26.14 67.4 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.272 0.942 . . . . 0.0 113.131 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.12 -40.57 10.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.28 1.032 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -31.69 62.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.468 0.707 . . . . 0.0 111.925 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -55.29 -34.32 64.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 113.458 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -38.57 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.07 -1.019 . . . . 0.0 112.746 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -84.73 -33.56 23.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.987 1.315 . . . . 0.0 113.546 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.38 6.95 10.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.421 1.888 . . . . 0.0 114.62 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -55.38 -13.84 1.61 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -171.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.13 135.98 93.9 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.953 1.701 . . . . 0.0 110.407 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.68 -28.31 86.31 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.111 2.541 . . . . 0.0 114.208 -166.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.59 -29.72 66.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.133 1.773 . . . . 0.0 114.567 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.88 -40.34 5.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.231 1.812 . . . . 0.0 112.093 173.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 14.4 tmtt? -57.13 -26.47 60.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.924 1.69 . . . . 0.0 114.522 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -99.24 2.46 45.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.68 -46.81 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.564 1.546 . . . . 0.0 110.382 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -65.98 -24.61 66.82 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.634 1.106 . . . . 0.0 111.846 173.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.6 -33.46 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.514 1.125 . . . . 0.0 113.043 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -75.84 -41.86 51.24 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.519 -0.738 . . . . 0.0 112.213 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.41 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 4.5 mt -60.63 -46.22 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.183 166.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 18' ' ' TYR . 24.7 mt -54.9 -43.02 72.89 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.018 1.281 . . . . 0.0 112.066 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.82 -38.18 73.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -62.91 -41.01 99.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.259 1.023 . . . . 0.0 112.143 171.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.63 -36.1 70.62 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 110.405 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.69 -40.73 88.87 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.097 -1.002 . . . . 0.0 112.134 169.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.57 -40.36 96.6 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.708 -0.62 . . . . 0.0 112.019 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -62.01 -44.48 96.63 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.834 0.854 . . . . 0.0 111.498 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.27 -39.2 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.243 1.017 . . . . 0.0 112.142 175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -60.68 -42.53 97.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.98 1.264 . . . . 0.0 112.708 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.87 -40.75 63.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 111.632 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -55.82 -38.77 70.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.756 1.622 . . . . 0.0 112.287 172.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.5 -43.32 90.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.427 0.691 . . . . 0.0 112.435 172.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -26.1 67.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.9 mt -80.39 -27.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.959 1.704 . . . . 0.0 113.092 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 124.943 1.297 . . . . 0.0 112.563 178.678 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -62.63 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.993 1.27 . . . . 0.0 113.28 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.65 -48.78 79.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.578 1.151 . . . . 0.0 111.175 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.414 HD23 ' CE1' ' A' ' 18' ' ' TYR . 10.8 mp -71.3 10.27 0.63 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.707 2.803 . . . . 0.0 114.884 173.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.36 -46.02 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.445 1.498 . . . . 0.0 110.479 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -48.12 72.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.96 -37.75 88.56 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.698 0.799 . . . . 0.0 111.732 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.06 -34.68 68.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.284 1.434 . . . . 0.0 112.81 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -87.15 -32.75 19.69 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -61.76 -36.57 81.43 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.881 1.272 . . . . 0.0 111.609 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.91 81.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.41 0.684 . . . . 0.0 110.2 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -40.37 89.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 0.0 112.096 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.4 -44.77 90.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.29 1.036 . . . . 0.0 111.383 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.19 -37.68 88.19 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.467 ' CE1' HD23 ' A' ' 7' ' ' LEU . 3.7 m-85 -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.736 1.614 . . . . 0.0 113.156 173.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -63.89 -41.59 97.67 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.209 0.913 . . . . 0.0 112.655 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.03 -38.32 44.91 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 0.0 112.169 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.43 69.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.639 0.775 . . . . 0.0 112.126 171.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -61.5 -32.88 72.92 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.381 0.991 . . . . 0.0 113.149 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.38 -40.4 73.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.088 -1.008 . . . . 0.0 112.182 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.4 -46.49 83.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.457 0.703 . . . . 0.0 111.997 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.73 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.645 2.378 . . . . 0.0 114.051 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -55.51 -21.95 19.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -61.69 119.46 47.68 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.619 1.568 . . . . 0.0 111.06 168.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -63.12 -18.97 67.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.245 2.63 . . . . 0.0 114.227 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.55 -33.15 69.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.057 0.943 . . . . 0.0 113.178 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.02 -38.12 9.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.844 2.058 . . . . 0.0 112.566 170.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.57 -2.65 2.5 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -118.01 9.52 12.79 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.11 -48.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.615 1.566 . . . . 0.0 110.448 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 -21.32 63.15 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.72 1.146 . . . . 0.0 112.038 171.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -65.86 -34.97 79.37 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.268 -0.895 . . . . 0.0 112.17 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -68.21 -37.44 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.49 0.716 . . . . 0.0 112.316 176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.62 -47.84 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.651 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.307 0.1 OUTLIER -57.97 -40.78 81.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.833 1.197 . . . . 0.0 111.937 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.96 -37.9 82.12 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.764 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -63.77 -38.0 89.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.067 0.947 . . . . 0.0 112.323 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -72.95 -39.87 65.83 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.355 -0.841 . . . . 0.0 110.981 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.63 -35.17 68.03 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.585 -0.697 . . . . 0.0 112.079 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -66.42 -41.35 89.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.916 0.886 . . . . 0.0 112.904 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -62.72 -41.36 99.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.476 1.11 . . . . 0.0 112.619 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.42 -39.19 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.697 1.199 . . . . 0.0 112.006 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.54 -36.57 83.0 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.746 0.818 . . . . 0.0 112.983 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.41 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 31.9 m0 -77.44 -37.29 51.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.421 1.088 . . . . 0.0 112.045 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -47.9 65.75 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 111.941 170.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.02 -27.42 63.53 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 173.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 98.9 m -83.58 -27.89 28.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.788 1.235 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.24 -27.82 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.371 1.468 . . . . 0.0 112.885 168.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 124.974 1.31 . . . . 0.0 112.367 171.232 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -67.74 -41.53 83.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 121.142 1.792 . . . . 0.0 111.372 168.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -43.52 94.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.895 1.278 . . . . 0.0 112.379 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.38 -4.13 34.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.401 1.881 . . . . 0.0 114.559 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.77 -42.0 3.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.358 1.863 . . . . 0.0 109.801 -173.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -67.05 -47.95 69.79 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.13 -34.04 76.73 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.767 0.712 . . . . 0.0 112.168 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -42.9 82.79 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.259 1.424 . . . . 0.0 112.422 166.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -81.42 -24.24 37.03 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.65 -32.04 73.1 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.238 -0.914 . . . . 0.0 111.932 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.88 66.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.093 0.861 . . . . 0.0 110.655 168.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mtp -55.42 -42.51 74.24 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.552 1.069 . . . . 0.0 113.626 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.64 -30.29 52.13 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.667 ' CD1' HD12 ' B' ' 10' ' ' LEU . 5.8 mt -59.41 -47.57 84.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.242 -0.409 . . . . 0.0 110.541 163.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -58.07 -37.8 75.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.583 1.553 . . . . 0.0 114.099 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -27.43 68.36 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.933 1.693 . . . . 0.0 113.875 176.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -105.85 -33.22 8.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.421 1.488 . . . . 0.0 112.885 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -33.35 35.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.324 1.05 . . . . 0.0 111.533 165.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -58.22 -28.14 64.58 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.71 -40.56 66.06 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.871 1.214 . . . . 0.0 111.97 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.85 -32.4 69.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.794 1.238 . . . . 0.0 112.672 172.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.09 28.4 1.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.45 2.3 . . . . 0.0 113.138 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -52.39 -24.84 8.42 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.25 123.1 81.41 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.121 1.368 . . . . 0.0 109.648 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.25 -21.39 72.5 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 122.724 2.283 . . . . 0.0 113.806 -171.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.55 -32.99 67.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.401 1.081 . . . . 0.0 113.184 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -39.86 7.77 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.931 2.093 . . . . 0.0 112.263 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -56.94 -28.61 62.32 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -97.19 8.21 45.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.69 -46.91 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.088 1.355 . . . . 0.0 110.689 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -15.85 63.59 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.726 1.148 . . . . 0.0 112.478 173.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -64.07 -33.48 75.85 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.277 -0.89 . . . . 0.0 113.37 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.76 -39.99 80.0 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.55 -0.719 . . . . 0.0 111.991 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' B' ' 44' ' ' HIS . 67.5 mt -62.75 -48.65 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.579 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.13 -45.31 64.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.653 1.115 . . . . 0.0 112.606 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.97 -40.28 72.03 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.48 -40.0 89.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.636 1.175 . . . . 0.0 112.183 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.92 -39.78 66.0 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.423 -0.798 . . . . 0.0 111.02 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.96 -34.27 71.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.369 -0.832 . . . . 0.0 111.993 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -61.84 -47.45 85.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.198 0.999 . . . . 0.0 111.991 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.434 ' CD2' HG12 ' B' ' 37' ' ' ILE . 50.8 m170 -62.91 -40.9 98.99 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.454 1.102 . . . . 0.0 112.187 177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.6 -40.37 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 112.01 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.61 -41.8 99.2 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.135 -0.978 . . . . 0.0 112.761 172.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.69 -37.26 76.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.795 0.838 . . . . 0.0 111.841 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -49.27 74.44 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.371 1.468 . . . . 0.0 111.698 170.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -40.58 83.37 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.424 0.69 . . . . 0.0 112.572 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -62.23 -19.96 63.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.055 0.942 . . . . 0.0 113.498 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mm -100.25 -10.68 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.036 1.735 . . . . 0.0 113.277 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 . . . . . 0 CA--C 1.551 0.996 0 O-C-N 121.238 -0.914 . . . . 0.0 111.252 168.123 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -56.5 -43.5 79.77 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.36 1.064 . . . . 0.0 112.041 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.99 -39.41 85.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.837 1.255 . . . . 0.0 112.17 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.06 -57.34 6.28 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.314 1.046 . . . . 0.0 110.431 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -41.98 72.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.881 2.473 . . . . 0.0 112.597 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.55 -45.7 78.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 17' ' ' LEU . 19.9 mt -69.76 -35.15 74.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.86 0.755 . . . . 0.0 112.335 174.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.29 -40.53 67.96 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.834 1.253 . . . . 0.0 112.537 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -86.83 -18.25 31.44 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.06 -36.42 77.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.572 1.078 . . . . 0.0 111.987 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.28 91.45 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 167.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.64 -40.79 96.12 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -61.07 -44.74 96.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 111.534 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.76 -51.98 65.51 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.594 0.757 . . . . 0.0 111.353 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -59.17 -38.35 79.56 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.695 1.998 . . . . 0.0 113.619 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -68.13 -38.94 82.77 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.605 1.093 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -83.55 -38.99 20.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.625 0.77 . . . . 0.0 112.833 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.1 -39.41 63.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.556 0.742 . . . . 0.0 111.352 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -58.15 -35.57 71.73 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.68 -46.61 65.69 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.833 -1.167 . . . . 0.0 111.756 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -67.52 -39.86 85.08 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.714 -0.616 . . . . 0.0 112.11 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.37 42.95 1.1 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.531 1.932 . . . . 0.0 112.41 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -18.36 20.98 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 130.44 93.65 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 126.449 1.9 . . . . 0.0 111.64 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.48 -25.12 41.7 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.837 2.358 . . . . 0.0 114.601 -167.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.37 -47.31 72.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.442 1.097 . . . . 0.0 112.774 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -80.68 -39.58 26.95 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.358 1.463 . . . . 0.0 112.034 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -60.7 -16.85 43.86 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.6 m -106.65 10.44 31.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.313 1.445 . . . . 0.0 114.102 171.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.92 -36.14 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.787 1.635 . . . . 0.0 111.556 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 -19.74 34.96 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.552 1.069 . . . . 0.0 112.868 169.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.25 -32.25 58.76 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.962 -1.086 . . . . 0.0 113.186 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -67.28 -28.69 68.23 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.263 -0.898 . . . . 0.0 113.365 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.434 HG12 ' CD2' ' A' ' 44' ' ' HIS . 71.2 mt -67.35 -56.56 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 116.918 -1.515 . . . . 0.0 108.207 161.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 37.2 mt -48.2 -38.71 18.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.684 2.038 . . . . 0.0 114.648 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.73 -30.65 65.86 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.17 -35.2 61.6 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.876 1.67 . . . . 0.0 111.9 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -84.16 -36.47 22.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.798 1.639 . . . . 0.0 109.922 -165.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.67 -32.64 72.84 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.286 1.435 . . . . 0.0 112.194 165.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.49 89.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.986 0.914 . . . . 0.0 112.249 176.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 37' ' ' ILE . 47.8 m170 -64.69 -42.02 95.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 112.301 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.21 -38.69 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.836 0.854 . . . . 0.0 110.863 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.31 -46.15 79.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.964 0.802 . . . . 0.0 112.543 170.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -73.15 -39.72 65.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.5 0.72 . . . . 0.0 112.031 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.07 -43.05 77.57 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.876 1.671 . . . . 0.0 112.375 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.58 -30.69 70.36 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -74.09 -28.53 61.41 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.098 0.959 . . . . 0.0 111.946 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -92.87 -12.15 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 126.216 1.807 . . . . 0.0 113.09 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 126.177 1.791 . . . . 0.0 113.694 176.354 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -62.36 -32.08 72.82 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.687 1.585 . . . . 0.0 111.974 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -40.95 77.55 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.708 1.203 . . . . 0.0 112.588 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' B' ' 18' ' ' TYR . 27.6 mt -73.47 -48.14 35.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.744 0.818 . . . . 0.0 111.063 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -36.78 17.4 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.232 2.613 . . . . 0.0 112.721 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -68.09 -56.37 9.11 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.32 -34.95 74.54 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.144 0.883 . . . . 0.0 112.965 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.8 -44.66 82.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.251 1.421 . . . . 0.0 111.784 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -79.32 -24.71 42.63 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -65.16 -37.74 88.36 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.639 -0.663 . . . . 0.0 111.712 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.66 84.63 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.446 0.567 . . . . 0.0 109.677 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -58.04 -41.63 83.66 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.237 0.926 . . . . 0.0 113.078 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -74.68 -32.91 62.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.642 1.11 . . . . 0.0 113.237 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.675 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 5.9 mt -57.66 -41.77 82.18 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.24 -32.68 74.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.998 1.719 . . . . 0.0 114.124 175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.69 -47.67 82.61 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.943 1.247 . . . . 0.0 112.543 169.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.64 -39.12 62.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.017 0.927 . . . . 0.0 112.111 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.07 71.56 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.401 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -61.74 -33.32 73.85 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.747 1.158 . . . . 0.0 112.518 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.35 -43.51 70.05 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.193 -0.942 . . . . 0.0 112.347 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -45.55 94.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.945 0.898 . . . . 0.0 112.135 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.33 24.32 1.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.216 2.207 . . . . 0.0 114.082 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -21.74 1.91 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -58.55 131.14 85.29 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 124.699 1.2 . . . . 0.0 111.409 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -64.07 -21.96 67.94 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.13 2.553 . . . . 0.0 114.343 -171.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.98 -31.01 70.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.259 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -111.96 -33.27 6.33 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.084 1.754 . . . . 0.0 113.462 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -24.31 43.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.733 1.213 . . . . 0.0 113.684 168.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -101.87 12.99 36.08 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.949 1.7 . . . . 0.0 113.801 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.53 -46.11 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.118 1.367 . . . . 0.0 110.762 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -16.11 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.75 1.159 . . . . 0.0 112.227 170.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -40.29 83.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.852 1.261 . . . . 0.0 113.181 176.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -71.24 -34.35 70.69 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.8 mt -64.64 -49.06 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.18 0.592 . . . . 0.0 109.558 168.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.88 -45.25 64.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.298 0.953 . . . . 0.0 112.591 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.02 -39.55 79.19 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.09 -39.31 92.03 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.125 0.97 . . . . 0.0 112.361 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' OE2' ' ND1' ' B' ' 44' ' ' HIS . 54.5 mm-40 -73.4 -38.44 65.62 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.254 -0.904 . . . . 0.0 111.091 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.01 -35.67 69.52 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.517 -0.74 . . . . 0.0 111.944 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -66.86 -42.86 84.98 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.539 0.735 . . . . 0.0 112.612 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' B' ' 40' ' ' ASP . 54.5 m170 -60.48 -42.52 96.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.154 0.982 . . . . 0.0 112.266 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.08 -37.48 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.696 1.199 . . . . 0.0 112.441 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.07 -40.56 90.96 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.027 -1.045 . . . . 0.0 112.779 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -72.22 -37.19 69.26 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.05 0.94 . . . . 0.0 111.564 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -48.75 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.791 1.637 . . . . 0.0 112.063 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.43 -39.06 85.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.733 0.778 . . . . 0.0 112.935 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -60.94 -30.55 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.889 1.276 . . . . 0.0 112.923 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -80.25 -20.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.679 1.992 . . . . 0.0 112.936 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 CA--C 1.551 1.011 0 C-N-CA 125.845 1.658 . . . . 0.0 112.515 176.168 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -83.64 -35.3 24.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -49.9 -41.53 46.11 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.868 2.067 . . . . 0.0 112.86 165.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.675 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 67.2 mt -81.42 0.96 35.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.553 1.541 . . . . 0.0 114.907 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.5 -44.23 2.47 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.064 1.345 . . . . 0.0 110.694 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.83 -51.83 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.62 -34.48 77.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.712 0.687 . . . . 0.0 112.472 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -40.23 82.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.085 1.354 . . . . 0.0 112.456 166.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.21 -27.03 35.48 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 120.545 -1.347 . . . . 0.0 114.219 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -65.1 -36.29 83.84 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.77 0.714 . . . . 0.0 111.755 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.98 84.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.573 0.624 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtp -59.7 -40.37 87.68 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.826 0.739 . . . . 0.0 112.788 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -38.28 83.34 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.315 0.646 . . . . 0.0 111.576 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.57 -42.45 96.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.493 0.717 . . . . 0.0 112.125 167.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.461 ' CE1' HD13 ' A' ' 7' ' ' LEU . 3.6 m-85 -62.34 -34.0 75.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 113.815 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -57.77 -45.25 86.23 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.179 0.9 . . . . 0.0 112.541 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.03 -36.8 27.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.944 0.898 . . . . 0.0 112.56 -175.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.07 60.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.86 0.864 . . . . 0.0 111.964 168.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -60.42 -25.06 65.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 171.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.85 -36.37 62.34 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.515 1.507 . . . . 0.0 113.039 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.11 -37.75 75.43 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.269 0.628 . . . . 0.0 112.321 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.66 28.02 1.4 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.818 2.047 . . . . 0.0 113.692 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -51.01 -28.85 10.96 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.122 1.769 . . . . 0.0 114.702 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.41 132.29 87.79 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.689 1.596 . . . . 0.0 111.188 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.44 -21.15 71.08 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.658 2.905 . . . . 0.0 114.747 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.51 -28.58 68.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.043 1.337 . . . . 0.0 113.171 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -108.09 -35.48 6.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.831 1.652 . . . . 0.0 113.292 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -53.87 -37.08 63.33 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.842 1.201 . . . . 0.0 113.065 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -91.4 8.64 35.26 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.94 -46.72 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.039 1.336 . . . . 0.0 110.454 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.263 0.5 OUTLIER -68.23 -26.99 65.97 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.73 1.15 . . . . 0.0 111.382 172.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -56.29 -35.11 67.13 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.229 1.377 . . . . 0.0 112.476 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.26 -38.04 84.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.597 0.635 . . . . 0.0 112.097 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.51 -50.61 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 117.394 -1.288 . . . . 0.0 109.553 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -53.34 -40.19 64.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 121.377 1.899 . . . . 0.0 113.026 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.41 -39.89 74.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.905 0.775 . . . . 0.0 112.906 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 37.8 m-20 -63.12 -41.15 99.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.877 1.271 . . . . 0.0 112.217 169.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -71.61 -37.48 70.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.369 -0.832 . . . . 0.0 110.349 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.53 -36.36 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.147 -0.97 . . . . 0.0 112.088 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -64.73 -39.82 94.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.63 -0.669 . . . . 0.0 112.247 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.529 ' ND1' ' OE2' ' A' ' 41' ' ' GLU . 51.9 m170 -62.29 -48.16 81.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.309 0.959 . . . . 0.0 111.12 173.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.95 -40.51 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.656 1.182 . . . . 0.0 111.554 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -55.82 -48.3 75.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.881 1.219 . . . . 0.0 111.926 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.542 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 26.3 m0 -72.54 -38.79 67.91 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 123.346 0.658 . . . . 0.0 112.055 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.56 -46.55 89.44 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.124 1.77 . . . . 0.0 112.249 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.72 -36.9 83.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.927 0.491 . . . . 0.0 110.814 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 42.9 m -62.83 -33.7 75.78 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.84 -24.58 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.667 1.587 . . . . 0.0 113.442 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 111.887 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.487 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -64.76 -31.05 72.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.86 -44.42 69.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.359 0.664 . . . . 0.0 110.917 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.262 0.2 OUTLIER -64.94 -43.07 93.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.84 0.856 . . . . 0.0 112.461 178.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.02 -41.33 71.18 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.3 2.24 . . . . 0.0 112.553 176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.08 -54.01 49.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.09 72.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 175.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -41.18 85.72 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.898 1.279 . . . . 0.0 113.409 163.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.31 -23.42 28.11 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.71 -37.26 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.344 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.35 90.12 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.33 0.968 . . . . 0.0 111.058 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtp -66.04 -42.55 89.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.206 0.603 . . . . 0.0 112.424 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.83 -40.14 91.51 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.754 -0.591 . . . . 0.0 111.069 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.48 98.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.224 1.009 . . . . 0.0 112.422 168.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -63.3 -32.4 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.01 94.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.235 1.014 . . . . 0.0 111.464 173.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -76.72 -40.44 48.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.704 0.802 . . . . 0.0 112.493 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.11 66.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.541 0.736 . . . . 0.0 111.84 171.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -60.23 -31.79 70.51 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.341 1.056 . . . . 0.0 113.393 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -77.31 -43.02 34.6 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.232 -0.918 . . . . 0.0 111.751 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -60.24 -30.65 69.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.213 1.005 . . . . 0.0 112.757 172.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.62 37.15 2.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.097 2.159 . . . . 0.0 113.051 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -25.56 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.863 2.065 . . . . 0.0 116.452 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.41 127.78 91.66 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.365 1.466 . . . . 0.0 111.421 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.4 -20.91 61.32 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.214 2.609 . . . . 0.0 114.377 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.14 -34.41 68.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.764 1.226 . . . . 0.0 112.883 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -92.45 -48.29 6.72 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.925 1.69 . . . . 0.0 111.994 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -52.24 -27.89 16.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 114.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -99.4 5.36 46.37 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.141 1.377 . . . . 0.0 114.35 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.503 HG11 HD11 ' B' ' 51' ' ' ILE . 52.9 t -116.12 -43.38 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.027 1.731 . . . . 0.0 110.946 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.9 OUTLIER -67.29 -19.31 65.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.147 1.34 . . . . 0.0 111.742 166.439 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.0 -36.71 70.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.324 1.049 . . . . 0.0 113.584 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' B' ' 47' ' ' TRP . 1.1 tpmt? -75.92 -37.58 58.58 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.628 -0.67 . . . . 0.0 112.388 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 3.8 mt -59.65 -48.79 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.235 163.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -56.27 -43.0 78.37 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.574 1.534 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -67.78 -40.73 83.97 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.522 ' CB ' ' NE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -64.52 -38.97 92.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 112.387 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.4 -38.99 68.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.413 -0.804 . . . . 0.0 109.805 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -58.34 -36.56 73.62 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.255 -0.903 . . . . 0.0 112.175 169.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.23 -39.97 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.515 ' CE1' HG23 ' B' ' 37' ' ' ILE . 53.4 m170 -63.44 -44.88 93.26 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.57 1.077 . . . . 0.0 110.948 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.78 -37.88 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.482 1.113 . . . . 0.0 111.737 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.43 -49.17 73.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 120.823 1.647 . . . . 0.0 111.743 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HZ3' ' N ' ' B' ' 37' ' ' ILE . 24.4 m0 -72.66 -41.37 65.49 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.375 0.67 . . . . 0.0 111.751 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.66 -47.19 77.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.685 1.594 . . . . 0.0 111.817 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.68 -43.92 91.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.067 0.547 . . . . 0.0 111.508 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -59.28 -24.6 63.39 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 33' ' ' VAL . 82.1 mt -99.1 -14.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.854 1.662 . . . . 0.0 113.118 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 CA--C 1.558 1.27 0 C-N-CA 126.168 1.787 . . . . 0.0 115.368 -177.199 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.51 -38.28 71.57 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.227 -0.92 . . . . 0.0 112.116 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.82 -35.6 80.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.581 1.553 . . . . 0.0 113.031 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.28 -56.1 14.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.092 1.357 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -43.81 69.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.799 2.44 . . . . 0.0 112.707 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.96 -42.81 80.32 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.6 -42.02 95.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.738 0.815 . . . . 0.0 111.911 169.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.6 -33.08 53.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.443 1.497 . . . . 0.0 112.778 170.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -91.01 -24.19 20.16 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.93 -35.11 79.6 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.388 0.995 . . . . 0.0 111.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.04 84.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.191 0.905 . . . . 0.0 110.53 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -60.14 -41.79 93.44 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.522 1.129 . . . . 0.0 112.363 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -68.39 -40.12 81.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.639 0.775 . . . . 0.0 112.017 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.19 97.36 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 169.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.3 -34.83 74.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.888 1.675 . . . . 0.0 113.765 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -60.16 -46.69 88.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.743 1.156 . . . . 0.0 112.549 170.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -75.13 -41.23 58.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.75 -41.43 70.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.317 1.047 . . . . 0.0 111.653 170.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.0 t -63.48 -36.58 84.21 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.179 0.9 . . . . 0.0 112.82 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.93 -46.01 72.7 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.381 -0.824 . . . . 0.0 111.703 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.4 -45.67 92.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.421 1.488 . . . . 0.0 111.564 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.15 34.11 0.87 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.552 2.341 . . . . 0.0 113.877 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -19.98 1.58 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -58.95 129.43 85.74 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 125.405 1.482 . . . . 0.0 111.597 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.03 -22.13 35.89 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.744 2.296 . . . . 0.0 114.78 -162.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.75 -59.07 5.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.134 0.879 . . . . 0.0 111.117 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -62.53 -44.51 96.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.616 1.567 . . . . 0.0 111.412 173.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.67 -20.09 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -100.9 -2.5 31.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.826 1.25 . . . . 0.0 114.103 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 51' ' ' ILE . 39.3 t -96.92 -52.47 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.144 1.378 . . . . 0.0 110.576 174.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.46 -18.88 65.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.463 1.029 . . . . 0.0 112.866 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.67 -34.84 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.382 0.673 . . . . 0.0 112.254 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 27.9 mtpp -68.87 -42.13 77.46 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.25 -0.906 . . . . 0.0 112.106 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.605 ' N ' ' HZ3' ' A' ' 47' ' ' TRP . 3.6 mp -62.34 -49.21 84.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 167.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.09 -41.09 64.6 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.072 1.305 . . . . 0.0 113.213 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.13 -36.97 69.54 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.61 1.096 . . . . 0.0 113.441 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.17 -41.11 97.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.437 1.095 . . . . 0.0 112.19 171.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.435 ' OE2' ' ND1' ' A' ' 44' ' ' HIS . 37.5 mm-40 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.764 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.15 -38.52 73.65 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.12 0.568 . . . . 0.0 111.345 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -64.91 -45.08 87.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.406 0.682 . . . . 0.0 112.328 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.546 ' NE2' ' HA ' ' A' ' 37' ' ' ILE . 46.3 m170 -59.91 -48.58 81.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.632 1.105 . . . . 0.0 111.561 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 21.9 mm -58.05 -37.98 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.899 1.279 . . . . 0.0 112.159 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.18 -42.09 98.95 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.073 -1.017 . . . . 0.0 112.753 173.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 36' ' ' LYS . 27.6 m0 -73.37 -40.67 64.19 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.005 0.922 . . . . 0.0 111.919 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.44 -42.09 73.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.773 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.02 -46.23 82.19 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.3 m -57.7 -29.14 64.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.902 1.281 . . . . 0.0 113.029 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 33' ' ' VAL . 78.0 mt -93.19 -26.76 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 113.668 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.5 t30 . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 124.044 0.938 . . . . 0.0 112.208 178.528 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -69.39 -39.86 77.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.753 1.16 . . . . 0.0 111.354 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.7 -29.19 67.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.582 1.153 . . . . 0.0 112.2 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.08 -60.98 1.96 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.852 0.461 . . . . 0.0 110.679 169.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -44.37 35.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.14 2.576 . . . . 0.0 114.159 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -68.5 -48.88 63.26 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -173.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.4 -32.01 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.886 0.874 . . . . 0.0 112.971 170.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.38 -40.41 74.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 111.602 164.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -82.13 -17.97 44.55 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 174.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.44 -36.78 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.125 -0.985 . . . . 0.0 111.917 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.79 85.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.641 0.655 . . . . 0.0 110.913 166.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.8 mmm -66.87 -41.31 87.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.11 0.964 . . . . 0.0 113.248 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -66.99 -41.73 86.24 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.64 -0.662 . . . . 0.0 111.559 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.792 ' CD1' ' HG2' ' B' ' 6' ' ' GLU . 1.3 mt -55.83 -49.9 72.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.725 0.81 . . . . 0.0 112.012 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.66 ' CE1' HD13 ' B' ' 7' ' ' LEU . 2.1 m-85 -57.92 -38.63 76.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.599 1.56 . . . . 0.0 114.129 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -62.21 -33.84 75.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.721 0.808 . . . . 0.0 112.551 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -80.25 -40.99 25.9 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.0 0.92 . . . . 0.0 112.302 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.27 -36.46 68.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 173.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 t -57.88 -34.08 69.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.632 1.173 . . . . 0.0 113.269 170.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.66 -44.75 77.12 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.185 -0.947 . . . . 0.0 111.917 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.3 -44.67 94.36 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.945 0.898 . . . . 0.0 111.667 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.98 28.19 1.22 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.909 2.084 . . . . 0.0 114.113 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -22.91 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.51 129.57 91.27 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.766 1.226 . . . . 0.0 111.448 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.75 -23.89 62.46 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.031 2.487 . . . . 0.0 114.602 -166.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -57.01 -27.47 61.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.592 1.557 . . . . 0.0 114.009 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.01 -38.05 5.67 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.076 1.75 . . . . 0.0 112.631 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.86 -33.79 62.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -87.47 -2.75 58.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.82 -50.13 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.079 1.352 . . . . 0.0 110.414 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.271 0.9 OUTLIER -67.52 -23.0 65.4 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.482 1.037 . . . . 0.0 112.061 173.743 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -60.97 -36.68 80.04 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.734 -1.229 . . . . 0.0 113.656 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -69.0 -34.47 75.32 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.24 -0.912 . . . . 0.0 112.384 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.51 -50.7 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.001 0.92 . . . . 0.0 109.203 166.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -52.4 -38.6 59.41 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 120.321 1.419 . . . . 0.0 112.694 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.87 -41.93 70.72 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.742 ' OD2' ' NE2' ' B' ' 44' ' ' HIS . 22.6 m-20 -61.45 -39.3 90.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.393 1.077 . . . . 0.0 112.167 173.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 43.8 mm-40 -75.64 -34.23 60.52 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.986 -177.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -60.8 -38.05 84.05 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.494 -0.754 . . . . 0.0 111.184 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -62.91 -40.41 97.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.721 0.808 . . . . 0.0 112.6 173.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.985 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 55.2 m170 -62.27 -48.73 78.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.323 0.965 . . . . 0.0 111.173 175.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.36 -39.47 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.018 0.927 . . . . 0.0 112.047 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.62 -49.9 69.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.947 0.794 . . . . 0.0 112.069 172.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 1.258 ' CZ3' HG12 ' B' ' 37' ' ' ILE . 19.7 m0 -72.67 -40.68 66.12 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.105 0.562 . . . . 0.0 111.808 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.12 -43.82 82.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.027 1.731 . . . . 0.0 112.182 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -66.87 -41.19 87.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.084 0.554 . . . . 0.0 112.051 172.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -63.4 -26.21 68.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -88.48 -17.1 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.717 1.607 . . . . 0.0 113.204 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 124.721 1.208 . . . . 0.0 111.913 169.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.86 -34.89 75.3 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 118.669 0.668 . . . . 0.0 111.201 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.792 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 26.2 tt0 -54.94 -43.5 73.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.044 1.738 . . . . 0.0 112.532 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.66 HD13 ' CE1' ' A' ' 18' ' ' TYR . 93.9 mt -65.53 -54.94 21.09 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.41 1.084 . . . . 0.0 112.077 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -43.26 35.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.262 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -65.64 -51.94 55.61 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.53 -31.12 72.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -57.51 -41.41 80.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.431 1.092 . . . . 0.0 112.833 164.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.44 -20.75 36.35 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.2 -31.53 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 119.094 0.861 . . . . 0.0 111.958 173.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.63 -48.41 48.06 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.278 0.944 . . . . 0.0 110.024 171.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mtp -53.01 -42.63 65.81 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.682 1.128 . . . . 0.0 113.282 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.7 -35.35 70.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.753 -1.217 . . . . 0.0 111.841 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -40.25 95.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.407 0.683 . . . . 0.0 111.038 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.84 -36.56 81.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.72 2.008 . . . . 0.0 113.253 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtp85 -61.44 -46.47 89.95 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.232 0.924 . . . . 0.0 112.641 172.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.34 -37.14 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.493 0.717 . . . . 0.0 112.649 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.86 64.87 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.184 0.994 . . . . 0.0 111.512 168.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t -64.57 -25.41 67.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -50.01 27.37 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.702 1.137 . . . . 0.0 111.267 172.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -66.3 -39.87 89.62 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.55 39.75 1.01 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.55 1.94 . . . . 0.0 113.14 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -17.15 1.76 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 172.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.85 135.42 77.54 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.43 1.892 . . . . 0.0 112.144 171.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.72 -15.66 33.52 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.556 2.838 . . . . 0.0 115.275 -168.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.31 -40.69 74.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.929 0.892 . . . . 0.0 112.379 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.72 -35.89 16.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.573 1.549 . . . . 0.0 112.903 172.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.94 -3.81 0.86 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -120.85 18.48 11.82 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.885 1.274 . . . . 0.0 113.744 168.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.06 -45.38 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.347 1.859 . . . . 0.0 110.411 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -20.76 60.9 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.193 -0.942 . . . . 0.0 111.629 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.36 -43.77 80.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.367 1.067 . . . . 0.0 112.324 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -70.83 -33.07 70.3 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 1.258 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 93.2 mt -66.91 -46.78 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.836 168.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -42.56 64.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.939 1.245 . . . . 0.0 112.816 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.0 -35.3 76.53 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.2 -39.01 86.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.36 1.064 . . . . 0.0 112.361 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.985 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 51.1 mm-40 -74.74 -37.64 62.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.207 -0.933 . . . . 0.0 110.823 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -36.37 69.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.76 170.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -64.77 -43.11 94.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 0.0 112.432 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.742 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 53.4 m170 -61.9 -41.76 98.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.374 1.069 . . . . 0.0 112.066 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.76 -39.57 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 111.945 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.92 -40.13 96.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.303 0.956 . . . . 0.0 112.935 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -72.22 -38.51 68.97 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.951 0.9 . . . . 0.0 111.843 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -49.68 72.95 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 170.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.91 -44.61 91.28 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -58.48 -30.15 66.77 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -85.99 -20.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.927 1.691 . . . . 0.0 114.185 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 125.18 1.392 . . . . 0.0 112.141 -178.06 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -57.27 -41.49 79.81 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.379 1.445 . . . . 0.0 111.835 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -22.12 65.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.688 1.595 . . . . 0.0 113.345 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.54 -51.16 5.25 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.078 1.351 . . . . 0.0 110.312 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -41.35 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.812 2.845 . . . . 0.0 113.018 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -64.93 -50.57 65.94 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.13 -35.06 77.5 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.191 0.997 . . . . 0.0 112.497 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.03 -34.88 70.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.459 1.104 . . . . 0.0 112.473 166.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -87.01 -21.11 26.34 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.27 -38.23 87.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.21 0.914 . . . . 0.0 111.36 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.11 90.17 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 118.683 0.674 . . . . 0.0 110.215 168.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -62.11 -41.82 98.61 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.93 -36.29 75.21 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.477 1.035 . . . . 0.0 112.34 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.6 -45.93 92.01 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.5 m-85 -58.19 -38.86 77.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.405 1.882 . . . . 0.0 113.288 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.94 -30.18 68.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.296 1.438 . . . . 0.0 113.696 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -96.46 -41.34 8.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.682 1.193 . . . . 0.0 112.221 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.4 -33.56 54.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.156 0.982 . . . . 0.0 111.85 167.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -57.54 -35.99 71.04 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.93 -45.29 71.18 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.962 -1.086 . . . . 0.0 112.206 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -61.24 -33.77 74.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.184 0.993 . . . . 0.0 112.631 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.15 16.93 10.33 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.693 1.997 . . . . 0.0 115.059 -175.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -45.5 -18.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 118.421 2.748 . . . . 0.0 118.421 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -63.76 124.71 85.77 Favored Pre-proline 0 CA--C 1.553 1.088 0 CA-C-N 119.351 0.978 . . . . 0.0 109.899 168.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.78 -26.95 75.09 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.751 2.301 . . . . 0.0 113.891 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.4 -33.53 30.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.511 1.524 . . . . 0.0 114.369 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -104.11 -39.51 6.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.683 1.993 . . . . 0.0 112.698 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -59.69 -22.05 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -101.19 7.56 43.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.21 1.404 . . . . 0.0 114.027 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -114.48 -44.81 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 110.994 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -15.08 63.41 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.869 1.213 . . . . 0.0 111.956 168.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.53 -36.92 81.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 46.3 mttp -65.33 -39.41 92.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.172 0.896 . . . . 0.0 112.242 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 77.6 mt -62.15 -53.19 50.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 108.28 169.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 18' ' ' TYR . 32.0 mt -50.45 -41.28 52.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.49 1.496 . . . . 0.0 113.718 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.36 -46.8 69.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.67 1.123 . . . . 0.0 113.391 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.533 ' CB ' ' NE2' ' B' ' 44' ' ' HIS . 33.8 m-20 -59.19 -35.41 73.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.825 1.65 . . . . 0.0 112.675 172.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 5.2 tp10 -87.72 -33.09 18.85 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 110.893 -167.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.96 -32.55 74.1 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 111.732 163.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -59.97 -40.55 89.45 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.11 0.964 . . . . 0.0 112.117 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.706 ' CE1' HG23 ' B' ' 37' ' ' ILE . 57.8 m170 -62.55 -43.11 99.63 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.282 1.033 . . . . 0.0 111.904 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.6 -42.2 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.425 1.09 . . . . 0.0 112.041 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.53 -40.75 83.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.313 0.961 . . . . 0.0 112.558 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 1.036 ' CE3' HG13 ' B' ' 37' ' ' ILE . 22.1 m0 -75.29 -40.29 58.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.84 0.856 . . . . 0.0 111.9 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.49 -41.93 81.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.602 1.561 . . . . 0.0 113.042 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -25.22 61.98 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.808 0.843 . . . . 0.0 113.245 173.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 m -76.47 -31.18 57.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.379 1.072 . . . . 0.0 111.109 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.66 HD11 ' CG1' ' B' ' 33' ' ' VAL . 62.0 mt -76.82 -17.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.559 1.944 . . . . 0.0 112.745 174.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 124.685 1.194 . . . . 0.0 112.039 174.08 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -58.49 -41.5 85.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.667 0.787 . . . . 0.0 110.827 168.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.47 -35.58 78.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.069 0.948 . . . . 0.0 112.66 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.0 -60.68 2.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.911 0.884 . . . . 0.0 110.487 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -43.76 66.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.23 2.212 . . . . 0.0 111.748 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -67.4 -41.96 84.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.11 -35.15 69.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.154 0.888 . . . . 0.0 112.934 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.448 ' OE1' ' OE2' ' A' ' 41' ' ' GLU . 1.5 mm-40 -53.8 -39.48 65.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.271 1.429 . . . . 0.0 111.893 163.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.74 -18.26 35.72 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -68.33 -39.08 82.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.661 1.119 . . . . 0.0 111.447 172.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.97 88.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.71 0.686 . . . . 0.0 110.927 171.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.5 tpt -65.72 -44.66 85.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.937 1.695 . . . . 0.0 111.961 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -65.07 -36.21 83.62 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.602 -1.311 . . . . 0.0 112.492 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.46 -47.36 86.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.997 167.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.23 -33.59 74.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.872 1.669 . . . . 0.0 114.288 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.09 -47.5 71.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.526 1.13 . . . . 0.0 112.403 168.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -91.38 -31.8 15.91 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.93 0.892 . . . . 0.0 112.833 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.63 -32.18 62.94 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.395 1.478 . . . . 0.0 112.846 171.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.4 t -60.23 -38.57 83.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.099 0.96 . . . . 0.0 112.955 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.32 -38.12 51.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.112 1.365 . . . . 0.0 112.559 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -34.27 78.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.587 1.155 . . . . 0.0 113.227 173.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.684 0.794 . . . . 0.0 111.808 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 48.13 17.59 0.12 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.204 2.202 . . . . 0.0 115.565 -172.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -120.63 134.69 24.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.416 1.487 . . . . 0.0 110.75 -170.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -65.83 -26.84 52.01 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.125 2.55 . . . . 0.0 114.11 -166.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -62.24 -46.51 88.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.772 0.796 . . . . 0.0 112.005 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -73.45 -39.31 65.05 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.421 1.488 . . . . 0.0 111.571 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -60.81 -4.33 0.96 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.86 2.064 . . . . 0.0 114.228 172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -123.04 12.47 9.65 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.938 1.695 . . . . 0.0 113.368 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 51' ' ' ILE . 23.6 t -121.4 -43.71 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.499 1.92 . . . . 0.0 110.691 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -17.06 59.81 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.638 1.108 . . . . 0.0 111.02 170.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -69.83 -39.56 76.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.903 1.281 . . . . 0.0 112.356 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -68.13 -39.01 82.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.428 -0.795 . . . . 0.0 112.938 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 1.036 HG13 ' CE3' ' A' ' 47' ' ' TRP . 83.9 mt -61.84 -51.3 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.726 167.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.78 -43.46 63.03 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 120.445 1.475 . . . . 0.0 113.571 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.15 -30.67 67.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.884 1.22 . . . . 0.0 113.737 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.87 -34.38 69.15 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.792 1.637 . . . . 0.0 112.754 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.651 ' OE1' ' ND1' ' A' ' 44' ' ' HIS . 6.9 tp10 -93.52 -38.14 11.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.074 1.349 . . . . 0.0 111.09 -161.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.91 -27.86 68.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.431 1.092 . . . . 0.0 111.047 163.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -65.95 -39.08 90.13 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.533 ' NE2' ' CB ' ' A' ' 40' ' ' ASP . 52.7 m170 -59.55 -45.17 92.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.006 0.923 . . . . 0.0 111.232 173.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 44.5 mm -56.9 -44.06 81.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.26 -43.68 78.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 120.176 1.353 . . . . 0.0 112.06 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 36' ' ' LYS . 22.2 m0 -72.71 -44.64 61.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.343 0.657 . . . . 0.0 111.421 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.01 -39.94 60.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.854 1.662 . . . . 0.0 112.327 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.48 -44.21 62.6 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.202 1.001 . . . . 0.0 112.597 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -57.72 -26.82 62.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.773 0.829 . . . . 0.0 112.665 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.62 -6.51 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 127.048 2.139 . . . . 0.0 113.297 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.29 1.436 . . . . 0.0 112.001 -169.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -63.08 -38.26 90.47 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 111.265 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.78 -40.99 90.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.506 1.523 . . . . 0.0 112.388 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 63.7 mt -67.36 -55.71 12.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.684 0.793 . . . . 0.0 110.808 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -47.43 45.36 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.221 2.608 . . . . 0.0 112.88 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.97 -48.69 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.33 -33.45 75.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.59 -37.68 70.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.411 1.084 . . . . 0.0 111.971 164.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.73 -19.48 41.36 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -36.07 81.43 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.986 1.266 . . . . 0.0 111.748 174.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.15 81.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.687 0.676 . . . . 0.0 110.896 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 tpp -60.3 -41.53 93.62 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.195 0.998 . . . . 0.0 112.971 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.19 -38.45 75.34 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.249 -0.907 . . . . 0.0 111.771 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' B' ' 7' ' ' LEU . 5.3 mt -58.32 -49.72 76.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.242 0.617 . . . . 0.0 111.224 167.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -54.42 -37.56 65.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.766 1.627 . . . . 0.0 114.54 172.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -60.54 -28.47 68.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.746 1.218 . . . . 0.0 113.427 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.46 -36.33 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.057 1.343 . . . . 0.0 112.626 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.74 56.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.048 0.939 . . . . 0.0 111.654 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -56.7 -34.53 67.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.533 1.133 . . . . 0.0 113.622 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -72.38 -44.45 62.52 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.007 -1.058 . . . . 0.0 111.928 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.23 -18.71 63.83 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.649 1.179 . . . . 0.0 113.465 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.72 30.2 7.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.761 2.425 . . . . 0.0 112.616 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -48.83 -25.77 2.05 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.26 133.97 95.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.801 2.04 . . . . 0.0 111.465 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -63.3 -20.23 70.01 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.719 2.279 . . . . 0.0 113.487 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -56.58 -20.34 20.39 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.994 2.118 . . . . 0.0 114.599 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -126.06 -35.05 2.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.067 1.747 . . . . 0.0 113.255 175.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -66.65 2.15 1.47 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -125.68 17.95 8.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.895 1.678 . . . . 0.0 112.662 167.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -121.98 -50.01 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.797 1.639 . . . . 0.0 110.656 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -19.98 65.44 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.406 1.003 . . . . 0.0 110.759 170.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.1 -29.9 71.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.163 1.385 . . . . 0.0 112.785 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -40.43 53.73 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.525 -0.735 . . . . 0.0 110.886 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -61.21 -48.68 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.263 1.025 . . . . 0.0 109.515 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -53.69 -40.67 66.2 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.69 1.132 . . . . 0.0 112.821 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -67.31 -43.83 80.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.951 0.796 . . . . 0.0 113.046 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.25 -39.95 88.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.789 1.236 . . . . 0.0 112.18 173.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -74.8 -36.71 62.48 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.278 -0.889 . . . . 0.0 111.176 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.42 -36.2 77.59 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.651 -0.656 . . . . 0.0 111.329 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -66.15 -41.29 90.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.574 0.75 . . . . 0.0 112.534 172.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -61.59 -47.87 83.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.464 1.029 . . . . 0.0 111.521 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.14 -42.16 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 124.179 0.992 . . . . 0.0 111.113 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -56.26 -42.53 77.54 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.689 1.131 . . . . 0.0 112.207 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.1 m0 -75.19 -39.09 60.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 112.679 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.06 -41.83 98.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.59 -33.02 74.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.85 1.26 . . . . 0.0 112.058 169.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.2 m -71.3 -33.7 69.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.28 0.562 . . . . 0.0 111.098 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.88 -15.02 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.151 1.78 . . . . 0.0 113.174 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.7 t30 . . . . . 0 CA--C 1.552 1.031 0 C-N-CA 126.475 1.91 . . . . 0.0 113.203 -176.014 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -54.45 -34.65 61.85 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.581 1.152 . . . . 0.0 112.23 167.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.28 -46.44 64.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.477 0.711 . . . . 0.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 17' ' ' LEU . 28.3 mt -59.72 -51.65 68.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.111 0.964 . . . . 0.0 110.792 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.83 -41.45 61.79 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.969 2.508 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -56.75 13.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.97 -32.17 73.62 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.37 0.668 . . . . 0.0 112.556 175.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.63 -38.06 74.37 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.489 1.115 . . . . 0.0 113.277 165.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.35 -19.97 28.99 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 174.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -64.68 -33.92 77.09 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.305 0.957 . . . . 0.0 111.859 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.14 67.02 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.176 0.898 . . . . 0.0 110.676 170.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.87 -36.88 68.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -79.94 -32.05 40.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 6.1 mt -58.03 -47.43 83.11 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.417 162.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 15.3 m-85 -56.88 -42.42 79.79 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.758 1.623 . . . . 0.0 114.256 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -61.29 -28.13 68.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -103.27 -37.24 7.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.936 0.894 . . . . 0.0 112.703 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.51 -39.14 60.96 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.735 1.214 . . . . 0.0 111.419 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -65.47 -24.92 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.02 -42.34 57.48 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.02 -1.05 . . . . 0.0 111.198 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -48.99 31.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.421 1.088 . . . . 0.0 111.603 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.55 47.79 0.86 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.52 1.928 . . . . 0.0 112.339 171.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -13.35 9.96 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.27 133.16 95.36 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 126.074 1.75 . . . . 0.0 111.171 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.78 -16.3 45.85 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.37 2.713 . . . . 0.0 114.579 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.23 -64.02 0.99 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 111.15 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -37.48 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.168 0.987 . . . . 0.0 111.539 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -66.65 -0.56 2.96 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t -123.58 16.7 9.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.825 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.88 -50.94 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.869 1.668 . . . . 0.0 109.898 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -19.13 61.54 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.376 -0.828 . . . . 0.0 111.802 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.32 -34.48 68.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.931 0.892 . . . . 0.0 112.438 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -72.83 -35.5 67.3 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.384 -0.822 . . . . 0.0 112.051 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.445 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 88.2 mt -59.87 -57.78 10.15 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-O 117.338 -1.315 . . . . 0.0 108.972 164.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.32 0.5 OUTLIER -59.71 -29.39 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 121.375 1.898 . . . . 0.0 113.523 -173.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.95 -41.16 68.09 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.569 1.077 . . . . 0.0 113.798 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -61.12 -37.52 83.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.993 1.317 . . . . 0.0 111.996 167.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.69 -36.65 43.27 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.05 1.34 . . . . 0.0 111.72 -169.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.77 -33.11 74.5 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.837 0.855 . . . . 0.0 111.538 167.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -60.24 -37.2 79.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.346 1.058 . . . . 0.0 112.482 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -65.7 -42.53 91.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.13 0.972 . . . . 0.0 112.279 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.06 -40.21 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.734 0.814 . . . . 0.0 110.598 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.07 -46.13 75.42 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.008 0.822 . . . . 0.0 112.741 171.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -73.58 -40.02 64.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.928 0.891 . . . . 0.0 112.363 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.19 -44.7 83.86 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.969 1.708 . . . . 0.0 111.911 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.29 -31.28 72.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.646 0.779 . . . . 0.0 112.468 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 12.1 m -74.6 -29.07 61.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.913 -0.492 . . . . 0.0 111.62 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.8 -25.1 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.094 1.358 . . . . 0.0 112.96 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 . . . . . 0 CA--C 1.548 0.894 0 C-N-CA 125.804 1.642 . . . . 0.0 112.013 178.217 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.711 1.141 . . . . 0.0 112.099 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.87 -43.29 96.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.909 0.884 . . . . 0.0 112.45 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.96 -49.31 75.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.191 0.996 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.9 65.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.948 2.499 . . . . 0.0 113.291 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.79 -53.22 35.13 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -35.33 79.44 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 112.784 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.1 -43.84 74.37 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.199 1.0 . . . . 0.0 112.431 166.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -84.32 -23.28 30.31 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.6 -35.53 77.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.074 0.852 . . . . 0.0 111.775 172.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.12 74.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.151 0.887 . . . . 0.0 110.808 169.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.53 -40.12 86.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.311 1.044 . . . . 0.0 112.716 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -41.05 80.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.325 -0.86 . . . . 0.0 111.519 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' B' ' 7' ' ' LEU . 8.3 mt -58.74 -46.98 86.19 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.854 0.862 . . . . 0.0 111.204 171.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -53.21 -43.71 67.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.526 1.53 . . . . 0.0 114.744 168.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -63.35 -31.06 72.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.96 1.254 . . . . 0.0 114.013 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.6 -39.62 13.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.012 0.925 . . . . 0.0 112.178 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.48 61.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 111.63 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 t -59.67 -38.5 81.67 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.497 1.119 . . . . 0.0 113.718 173.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.224 -0.922 . . . . 0.0 110.334 171.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.98 71.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.014 1.326 . . . . 0.0 113.617 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.23 24.75 4.19 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.41 2.284 . . . . 0.0 113.948 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -17.76 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.65 119.5 44.44 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 119.604 1.093 . . . . 0.0 111.1 166.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.94 -16.31 40.9 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.936 3.091 . . . . 0.0 115.506 -156.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.25 -68.61 0.36 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.877 1.271 . . . . 0.0 110.737 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -39.76 64.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.803 1.641 . . . . 0.0 111.854 167.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -56.85 -28.59 61.88 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -95.78 3.23 53.96 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.68 -50.47 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.011 1.324 . . . . 0.0 110.403 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -19.78 65.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.516 1.053 . . . . 0.0 112.694 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -57.52 -39.97 77.72 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.902 0.881 . . . . 0.0 113.218 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.73 -39.84 88.13 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.532 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.55 -47.06 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.418 172.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.284 0.1 OUTLIER -58.72 -38.56 78.6 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.432 1.014 . . . . 0.0 111.898 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -72.73 -36.3 67.74 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.31 0.959 . . . . 0.0 113.328 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -63.87 -40.7 97.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.739 1.215 . . . . 0.0 112.555 168.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.47 -38.18 84.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.553 -0.717 . . . . 0.0 110.167 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.42 -39.61 76.57 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.164 -0.96 . . . . 0.0 112.846 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -64.89 -43.19 93.7 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.565 -0.71 . . . . 0.0 111.853 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -61.23 -42.85 99.32 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.048 0.939 . . . . 0.0 112.308 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.06 -42.58 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 111.252 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.59 -41.99 95.83 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.973 0.806 . . . . 0.0 112.575 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -73.65 -32.91 64.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.452 1.101 . . . . 0.0 112.079 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -48.84 79.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.345 1.058 . . . . 0.0 112.077 173.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -23.31 67.32 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.223 0.609 . . . . 0.0 112.456 172.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -79.84 -30.75 40.45 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.61 0.764 . . . . 0.0 112.333 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.13 -24.03 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.616 1.566 . . . . 0.0 112.801 172.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 125.144 1.378 . . . . 0.0 112.426 168.812 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -66.13 -36.7 83.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.808 0.843 . . . . 0.0 111.811 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.67 -42.96 99.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.383 1.473 . . . . 0.0 112.646 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 17' ' ' LEU . 40.3 mt -62.19 -55.95 23.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -43.49 70.38 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 128.581 2.753 . . . . 0.0 112.716 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.35 -48.55 72.59 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.64 -36.69 85.07 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.203 0.91 . . . . 0.0 112.28 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.89 -37.4 68.81 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.676 1.19 . . . . 0.0 113.448 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -88.56 -24.09 22.97 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -66.97 -35.26 79.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.944 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.3 80.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.306 0.957 . . . . 0.0 110.486 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -43.83 93.56 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.066 0.946 . . . . 0.0 113.009 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.37 -36.45 79.22 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.45 -1.406 . . . . 0.0 112.761 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.44 -42.67 87.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.09 0.556 . . . . 0.0 111.553 167.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.27 -43.13 99.53 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.866 1.666 . . . . 0.0 113.063 175.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -44.59 83.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.988 1.315 . . . . 0.0 111.627 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.09 -35.22 21.96 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.1 -33.94 65.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.284 0.633 . . . . 0.0 111.661 170.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -56.05 -30.92 62.64 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.138 0.975 . . . . 0.0 113.602 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.51 -44.48 74.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.03 -1.044 . . . . 0.0 112.523 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.39 -41.37 76.54 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.681 -0.637 . . . . 0.0 112.253 172.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.16 21.74 0.57 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.109 2.164 . . . . 0.0 114.13 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.03 2.23 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -58.85 130.32 85.91 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.026 0.93 . . . . 0.0 110.142 170.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -62.36 -21.89 73.32 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 122.986 2.457 . . . . 0.0 114.024 -170.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.69 -43.62 98.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 112.738 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.9 -36.79 13.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.422 1.489 . . . . 0.0 112.437 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.12 -29.02 60.08 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -97.42 11.74 35.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.98 -46.37 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.759 1.224 . . . . 0.0 110.421 172.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -18.26 63.39 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.59 1.086 . . . . 0.0 112.532 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.13 -43.0 96.0 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.864 . . . . 0.0 113.09 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -69.44 -36.6 76.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.362 -0.836 . . . . 0.0 112.656 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.3 -52.01 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.886 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.282 0.4 OUTLIER -61.12 -33.69 73.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.383 1.447 . . . . 0.0 112.714 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.95 -37.98 69.86 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.366 -0.834 . . . . 0.0 113.009 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -61.46 -38.48 87.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.535 1.134 . . . . 0.0 112.043 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -70.92 -37.9 72.93 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.135 -0.978 . . . . 0.0 111.567 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.62 -37.75 76.54 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.221 -0.924 . . . . 0.0 111.702 170.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -61.99 -43.62 98.46 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 112.314 171.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -63.09 -43.1 99.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.698 1.136 . . . . 0.0 112.197 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.36 -39.45 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.259 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.84 -45.17 86.63 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.675 1.125 . . . . 0.0 112.535 171.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -72.79 -37.77 67.47 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.537 -0.727 . . . . 0.0 112.389 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.46 -44.76 89.36 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.828 1.651 . . . . 0.0 111.785 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.51 -35.52 77.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.24 0.616 . . . . 0.0 112.172 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -71.15 -21.98 62.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.968 0.507 . . . . 0.0 112.333 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.02 -16.29 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.098 1.759 . . . . 0.0 113.604 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.309 173.895 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.41 69.31 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.527 -1.358 . . . . 0.0 111.864 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.33 -25.1 32.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.853 . . . . 0.0 113.292 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.55 -45.92 5.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 111.866 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -38.74 10.88 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.115 2.166 . . . . 0.0 112.57 172.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -65.41 -53.55 41.47 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.14 -36.11 82.52 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.857 0.863 . . . . 0.0 112.55 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.83 -41.69 71.0 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.839 1.256 . . . . 0.0 111.832 168.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -80.66 -25.8 38.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.03 -34.96 79.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.144 0.884 . . . . 0.0 111.975 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.52 80.21 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.779 169.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -64.01 -36.15 83.06 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.997 1.271 . . . . 0.0 112.802 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -69.71 -40.65 76.14 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.303 1.041 . . . . 0.0 111.876 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.07 -42.67 98.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.071 0.948 . . . . 0.0 112.604 168.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.48 -34.05 76.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.766 1.626 . . . . 0.0 113.117 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -54.06 -43.68 70.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.53 0.732 . . . . 0.0 112.431 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.77 -38.68 21.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.016 0.926 . . . . 0.0 113.033 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.56 -37.53 73.28 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.571 0.749 . . . . 0.0 112.309 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 t -61.14 -41.02 95.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.565 0.746 . . . . 0.0 112.83 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.58 -43.89 71.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.079 -1.013 . . . . 0.0 112.361 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.75 -29.54 67.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.589 1.156 . . . . 0.0 113.192 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.58 -58.06 8.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.604 1.161 . . . . 0.0 112.678 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER 34.81 28.39 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.543 2.337 . . . . 0.0 116.666 -169.092 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -134.86 130.43 19.6 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.621 1.569 . . . . 0.0 110.873 -172.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -67.08 -22.81 46.99 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.517 2.811 . . . . 0.0 114.708 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.06 -27.38 68.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.422 1.089 . . . . 0.0 112.884 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.25 -28.27 5.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.625 1.97 . . . . 0.0 113.913 178.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.58 -21.53 53.33 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.629 1.104 . . . . 0.0 113.965 168.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -103.41 11.07 36.99 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.219 1.408 . . . . 0.0 113.836 174.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -114.64 -44.42 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.914 1.286 . . . . 0.0 110.798 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -18.69 65.5 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.572 1.078 . . . . 0.0 112.499 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -65.17 -34.91 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.076 -1.015 . . . . 0.0 113.704 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -69.07 -39.51 79.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.061 0.846 . . . . 0.0 112.522 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.406 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 9.5 mt -60.06 -49.14 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.176 168.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.12 -40.17 60.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.412 1.46 . . . . 0.0 113.031 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.46 -36.06 63.32 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.82 -43.24 99.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.365 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.78 -33.06 71.89 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.766 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.79 -37.68 85.26 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.085 -1.009 . . . . 0.0 112.661 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -66.49 -37.98 86.26 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.994 0.815 . . . . 0.0 112.164 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -61.6 -46.44 89.84 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 0.0 111.216 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.27 -39.57 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.51 1.124 . . . . 0.0 112.037 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.21 -49.74 68.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.096 1.316 . . . . 0.0 111.649 172.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 26.7 m0 -71.47 -40.05 70.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.13 0.572 . . . . 0.0 111.355 -176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.88 -47.97 81.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.987 1.315 . . . . 0.0 112.38 174.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -32.54 70.54 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.444 -0.785 . . . . 0.0 112.301 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -62.46 -38.46 89.9 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.918 -1.114 . . . . 0.0 113.223 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.8 mm -75.87 -14.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 0.0 112.923 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.559 1.303 0 C-N-CA 126.744 2.018 . . . . 0.0 114.491 176.657 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -63.12 -36.56 84.01 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.51 1.05 . . . . 0.0 111.695 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.46 -48.54 78.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.618 1.567 . . . . 0.0 112.042 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.18 -53.57 29.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.104 1.762 . . . . 0.0 112.24 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -47.24 59.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.522 1.929 . . . . 0.0 112.178 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -61.39 -44.21 97.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.53 -38.89 88.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.348 0.977 . . . . 0.0 113.017 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.02 -36.2 65.24 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.715 1.606 . . . . 0.0 112.497 167.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -86.36 -26.51 24.78 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -64.31 -36.45 84.16 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.355 -0.84 . . . . 0.0 111.048 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.86 81.61 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 122.94 0.496 . . . . 0.0 110.148 171.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -39.93 89.28 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.412 1.005 . . . . 0.0 112.287 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.81 0.844 . . . . 0.0 111.622 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.38 -43.42 88.5 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.521 0.728 . . . . 0.0 111.718 167.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.448 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 8.8 m-85 -67.59 -28.25 67.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.658 1.583 . . . . 0.0 113.531 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.31 -47.76 80.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.9 0.773 . . . . 0.0 112.833 167.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -34.89 30.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.764 -174.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.65 64.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.836 1.655 . . . . 0.0 112.138 172.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.85 -40.77 96.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.317 0.647 . . . . 0.0 112.403 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.63 -44.08 65.01 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 120.985 -1.072 . . . . 0.0 112.299 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -70.68 -23.24 62.45 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.21 23.29 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.897 0.879 . . . . 0.0 112.168 164.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER 37.29 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.995 2.118 . . . . 0.0 115.83 -166.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -124.99 127.35 25.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.026 1.73 . . . . 0.0 110.363 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.22 -27.6 41.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.285 2.657 . . . . 0.0 114.225 -165.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.46 -48.23 82.1 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.707 0.803 . . . . 0.0 111.712 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -60.54 -43.23 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.886 1.274 . . . . 0.0 110.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.65 -2.48 0.36 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.861 2.064 . . . . 0.0 115.278 172.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -124.71 10.1 8.35 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.296 1.438 . . . . 0.0 112.996 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.31 -42.46 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.311 1.444 . . . . 0.0 110.802 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -18.11 55.5 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.851 1.205 . . . . 0.0 111.66 173.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -64.47 -42.89 95.64 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.796 0.839 . . . . 0.0 112.135 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.96 -34.99 76.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.463 -0.773 . . . . 0.0 112.483 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.598 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.7 mt -64.35 -52.82 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.153 169.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.302 0.4 OUTLIER -60.15 -33.86 72.76 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.185 1.357 . . . . 0.0 112.752 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.7 -36.49 67.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 120.293 1.406 . . . . 0.0 113.847 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.54 -43.56 98.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.161 0.984 . . . . 0.0 111.454 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.28 -34.07 72.34 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.627 -0.671 . . . . 0.0 111.002 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -63.94 -39.64 94.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.594 0.757 . . . . 0.0 112.136 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.358 -0.839 . . . . 0.0 111.609 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.82 -17.36 22.91 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 116.879 -1.534 . . . . 0.0 113.524 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -80.81 -44.45 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 122.188 2.267 . . . . 0.0 109.075 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.1 -34.37 63.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.809 1.244 . . . . 0.0 112.002 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.406 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 36.9 m0 -80.02 -41.87 24.92 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.343 1.057 . . . . 0.0 112.329 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -48.58 80.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.791 0.837 . . . . 0.0 112.253 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -27.95 69.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.463 0.705 . . . . 0.0 112.772 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -33.02 71.0 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.221 -0.924 . . . . 0.0 112.487 171.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.42 -18.51 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 113.46 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 125.536 1.534 . . . . 0.0 112.022 173.056 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 119.706 -0.187 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.37 24.97 1.76 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.984 1.314 . . . . 0.0 114.392 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -63.25 -13.98 44.21 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.91 -37.39 60.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.237 1.015 . . . . 0.0 113.385 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -64.84 -38.73 91.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.904 1.282 . . . . 0.0 112.195 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.82 -42.82 85.22 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.469 1.108 . . . . 0.0 111.733 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.76 -54.48 44.64 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.904 0.882 . . . . 0.0 111.545 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.76 -44.09 66.24 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.414 1.885 . . . . 0.0 112.24 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -64.35 -44.35 91.72 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.33 -37.77 80.88 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.463 1.029 . . . . 0.0 112.53 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.78 -40.25 66.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.183 1.793 . . . . 0.0 112.01 165.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.58 -23.03 29.83 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -68.49 -36.87 79.53 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.438 1.017 . . . . 0.0 112.019 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.58 89.03 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 118.629 0.65 . . . . 0.0 109.618 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.8 tpp -60.67 -41.12 94.42 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.221 0.918 . . . . 0.0 112.837 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -37.47 81.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.251 1.02 . . . . 0.0 111.545 177.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.11 -47.1 86.11 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.618 0.767 . . . . 0.0 112.085 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -61.71 -32.68 72.91 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.737 1.615 . . . . 0.0 113.651 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -53.67 -35.66 61.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.633 1.573 . . . . 0.0 112.855 171.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -96.65 -35.12 11.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.591 1.556 . . . . 0.0 112.489 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.86 60.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 112.013 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 t -56.58 -30.76 63.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.668 1.587 . . . . 0.0 114.401 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.8 -43.2 47.42 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.72 -1.238 . . . . 0.0 112.073 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -68.56 -34.61 76.12 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.626 -0.671 . . . . 0.0 112.508 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 25.63 0.12 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.869 2.068 . . . . 0.0 114.149 172.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -52.28 -25.65 10.0 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.23 125.82 86.39 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.93 1.292 . . . . 0.0 110.509 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.42 -16.18 42.96 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 123.095 2.53 . . . . 0.0 114.33 -165.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -66.35 -51.62 55.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.466 0.706 . . . . 0.0 110.197 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -64.68 -43.57 93.11 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.419 1.488 . . . . 0.0 111.335 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -69.91 7.54 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -126.64 13.02 7.48 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.661 1.584 . . . . 0.0 112.718 166.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.66 -48.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.676 1.591 . . . . 0.0 110.735 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -16.59 62.09 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.139 1.336 . . . . 0.0 112.006 169.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -66.85 -39.29 87.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.596 1.158 . . . . 0.0 112.307 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.7 mmpt? -70.04 -33.64 72.23 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.651 -0.656 . . . . 0.0 112.654 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.91 -57.93 9.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.4 mt -48.21 -43.11 31.72 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.677 1.581 . . . . 0.0 113.803 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.76 -38.07 76.62 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -68.79 -34.26 75.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.34 1.456 . . . . 0.0 112.798 171.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.73 -32.48 17.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.951 1.7 . . . . 0.0 109.976 -164.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.91 -37.12 81.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.551 1.141 . . . . 0.0 112.254 159.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -35.36 77.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.049 0.94 . . . . 0.0 112.795 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -63.89 -56.92 11.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.03 1.332 . . . . 0.0 111.734 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 mp -42.87 -44.33 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 126.074 1.75 . . . . 0.0 113.17 163.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -40.09 84.12 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.027 -1.045 . . . . 0.0 113.087 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -80.8 -38.73 27.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.51 1.124 . . . . 0.0 112.264 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.44 -35.89 60.97 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 125.869 1.668 . . . . 0.0 112.069 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -65.52 -41.4 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.652 0.781 . . . . 0.0 113.069 171.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.0 mt -86.57 -22.35 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.602 1.561 . . . . 0.0 113.231 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -64.8 159.54 22.24 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.283 1.433 . . . . 0.0 113.008 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 C-N-CA 126.144 1.83 . . . . 0.0 112.894 -177.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 42.99 49.81 5.29 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.829 2.052 . . . . 0.0 115.649 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -111.45 -3.55 15.16 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -36.62 14.86 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -166.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -37.44 68.61 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.036 0.835 . . . . 0.0 111.388 169.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.37 -39.51 87.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.819 1.248 . . . . 0.0 112.744 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.01 -58.07 4.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.057 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -43.51 76.83 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.459 2.304 . . . . 0.0 112.562 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.83 -45.85 76.97 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -38.42 91.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.993 0.815 . . . . 0.0 112.371 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -42.47 69.63 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.571 1.548 . . . . 0.0 112.916 168.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -85.56 -23.79 27.49 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.81 -25.25 66.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.45 -0.781 . . . . 0.0 111.917 171.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.08 -51.03 17.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.285 0.948 . . . . 0.0 110.019 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -50.5 -43.57 55.7 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.712 1.142 . . . . 0.0 113.125 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.96 -33.96 68.59 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.059 -1.026 . . . . 0.0 112.946 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.17 -40.26 95.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.197 0.453 . . . . 0.0 111.084 168.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.36 -33.06 74.98 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.685 1.594 . . . . 0.0 112.977 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -61.08 -49.98 75.13 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.791 1.178 . . . . 0.0 113.16 168.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.99 -40.26 63.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.727 0.811 . . . . 0.0 111.947 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.6 -38.8 72.54 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.878 0.871 . . . . 0.0 111.713 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.99 -34.64 76.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.752 1.16 . . . . 0.0 113.297 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.01 -41.83 99.66 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.09 -1.006 . . . . 0.0 112.352 175.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -73.84 -43.66 57.99 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.593 1.157 . . . . 0.0 112.324 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.71 26.98 0.17 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.582 2.353 . . . . 0.0 114.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -56.09 -18.34 9.49 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.76 134.37 86.54 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.518 1.527 . . . . 0.0 111.501 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.04 -22.34 55.13 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.125 2.55 . . . . 0.0 114.713 -168.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.06 -61.8 2.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.665 1.186 . . . . 0.0 111.436 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.09 -38.89 75.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.763 0.825 . . . . 0.0 111.981 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.14 -18.65 49.12 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -108.04 9.41 28.45 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.771 1.228 . . . . 0.0 113.813 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -114.58 -43.9 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.565 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -18.99 61.49 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.649 1.113 . . . . 0.0 112.011 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.33 -32.56 74.03 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 112.917 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.07 -42.6 66.01 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.428 -0.795 . . . . 0.0 111.241 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.91 -46.72 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 118.793 -0.623 . . . . 0.0 110.113 168.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.13 -46.52 68.83 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.954 1.252 . . . . 0.0 112.628 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.22 -37.09 77.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -61.31 -40.6 94.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.635 1.174 . . . . 0.0 112.15 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.54 -38.73 71.02 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.267 -0.896 . . . . 0.0 111.116 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.72 -35.98 75.64 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.554 -0.716 . . . . 0.0 111.456 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -59.22 -47.17 86.35 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.284 1.034 . . . . 0.0 112.114 170.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -63.25 -42.31 99.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.512 1.051 . . . . 0.0 111.935 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.63 -37.92 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.635 1.174 . . . . 0.0 111.465 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.92 -48.24 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.48 1.036 . . . . 0.0 111.901 170.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -69.84 -40.4 75.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.167 0.587 . . . . 0.0 111.947 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.88 -41.93 75.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.619 1.567 . . . . 0.0 111.92 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.9 -45.3 82.5 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.4 m -59.11 -27.69 65.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.087 0.955 . . . . 0.0 113.431 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mm -96.75 -18.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 0.0 113.786 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -67.01 145.82 55.0 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.044 0.937 . . . . 0.0 111.879 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.276 -1.291 . . . . 0.0 113.292 -179.516 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.64 -34.62 74.54 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -165.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' B' ' 24' ' ' LYS . 29.0 p90 -145.8 20.99 1.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -174.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt -121.04 -48.24 2.24 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.855 1.262 . . . . 0.0 111.935 -170.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -31.29 72.08 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.367 0.667 . . . . 0.0 111.604 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.27 -38.71 87.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.895 1.278 . . . . 0.0 112.854 171.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.553 HD23 HD13 ' B' ' 17' ' ' LEU . 76.5 mt -67.07 -52.19 45.21 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.29 1.036 . . . . 0.0 111.02 176.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -44.82 -47.28 10.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 112.748 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -66.45 -43.26 86.04 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -71.52 -31.48 67.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.896 0.878 . . . . 0.0 112.684 172.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.2 -39.73 72.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.604 1.562 . . . . 0.0 111.911 163.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -78.25 -24.75 46.76 Favored 'General case' 0 C--N 1.342 0.283 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -61.37 -34.0 74.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.514 1.052 . . . . 0.0 112.061 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.38 78.36 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.845 0.748 . . . . 0.0 111.021 171.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -38.46 89.66 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.289 0.95 . . . . 0.0 112.772 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -42.74 88.65 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.097 0.959 . . . . 0.0 111.782 174.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.648 0.779 . . . . 0.0 112.268 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.04 -34.8 73.89 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.26 1.424 . . . . 0.0 113.487 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.08 67.28 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 174.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -92.74 -37.02 12.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.266 1.426 . . . . 0.0 112.52 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.08 72.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.029 0.932 . . . . 0.0 112.299 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 t -62.7 -36.06 81.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.993 0.917 . . . . 0.0 112.647 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -75.07 -37.8 61.48 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.347 -0.846 . . . . 0.0 112.342 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.92 -40.57 98.0 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.576 1.15 . . . . 0.0 112.453 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -65.08 0.72 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.679 1.192 . . . . 0.0 112.106 173.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 44.29 23.48 0.07 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.254 2.221 . . . . 0.0 115.468 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -130.73 132.59 24.03 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.083 1.753 . . . . 0.0 109.731 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.37 -25.27 42.25 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.77 2.313 . . . . 0.0 114.179 -164.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.18 -51.51 68.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.577 0.751 . . . . 0.0 111.456 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HE2' HD12 ' B' ' 51' ' ' ILE . 12.8 mmtp -63.53 -42.3 98.45 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.712 1.205 . . . . 0.0 111.557 171.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -63.96 -8.89 12.83 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -114.21 12.24 17.68 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.409 1.484 . . . . 0.0 113.386 170.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -120.08 -37.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.768 1.627 . . . . 0.0 111.612 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -19.9 48.49 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.935 1.243 . . . . 0.0 112.325 168.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -65.57 -40.6 92.96 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.052 -1.03 . . . . 0.0 112.594 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HE3' ' CE3' ' B' ' 47' ' ' TRP . 50.7 pttt -65.13 -32.16 73.73 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.415 HG23 ' CE1' ' B' ' 44' ' ' HIS . 76.9 mt -69.12 -47.33 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.834 168.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.33 -39.47 72.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.97 1.259 . . . . 0.0 113.235 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.6 -33.2 70.78 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -65.88 -41.25 91.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.93 -36.9 70.06 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.048 -1.032 . . . . 0.0 111.2 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.76 -35.32 79.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.442 -0.787 . . . . 0.0 111.761 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.28 98.46 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.621 -0.675 . . . . 0.0 111.981 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' B' ' 37' ' ' ILE . 54.1 m170 -61.68 -44.78 96.29 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.909 0.883 . . . . 0.0 111.466 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.89 -38.66 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.922 0.889 . . . . 0.0 112.114 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -46.31 85.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.14 1.336 . . . . 0.0 112.092 173.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 16.0 m0 -73.34 -41.3 63.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 121.789 -0.57 . . . . 0.0 111.896 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.95 -45.14 87.1 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.344 1.458 . . . . 0.0 111.551 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.27 -43.9 97.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.401 0.68 . . . . 0.0 111.972 172.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -60.59 -29.14 69.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.74 0.816 . . . . 0.0 113.189 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.2 -23.17 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.0 1.72 . . . . 0.0 113.501 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -76.16 170.43 16.32 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.64 1.576 . . . . 0.0 112.458 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.509 1.528 . . . . 0.0 112.632 178.269 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 54.98 42.95 30.62 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.504 1.121 . . . . 0.0 112.911 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -51.08 -36.3 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -166.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.87 -11.4 37.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 127.54 2.336 . . . . 0.0 116.314 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -107.52 -39.53 5.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.933 2.093 . . . . 0.0 108.63 -167.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -52.39 -51.04 61.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.804 157.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.309 0.1 OUTLIER -62.7 -47.31 84.16 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -41.65 62.79 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.293 1.837 . . . . 0.0 112.392 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.87 -50.68 65.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.47 -37.74 84.74 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 170.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.76 -35.07 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.72 1.208 . . . . 0.0 112.9 166.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -90.69 -24.05 20.55 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -68.54 -33.39 74.02 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.075 -1.015 . . . . 0.0 111.598 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.93 93.69 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.683 0.674 . . . . 0.0 110.297 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -62.76 -43.51 98.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -61.79 -40.83 96.58 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.476 -0.765 . . . . 0.0 112.334 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 7' ' ' LEU . 1.4 mt -60.21 -42.31 94.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 169.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.403 ' HB3' HD21 ' B' ' 38' ' ' LEU . 4.3 m-85 -65.53 -31.59 72.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.299 1.44 . . . . 0.0 113.324 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -58.67 -49.07 78.91 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 111.545 170.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -71.58 -40.96 69.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.29 0.636 . . . . 0.0 112.192 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -32.63 61.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.933 172.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -64.34 -33.37 75.7 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.604 1.093 . . . . 0.0 113.271 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -71.32 -40.04 71.02 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.046 -1.034 . . . . 0.0 112.354 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -64.81 -43.3 93.56 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.336 0.655 . . . . 0.0 111.094 171.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.78 36.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.237 2.615 . . . . 0.0 113.836 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -55.96 -22.28 25.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.53 133.85 95.82 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.192 1.397 . . . . 0.0 111.31 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.5 -18.86 49.22 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.265 2.643 . . . . 0.0 114.542 -171.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.2 -58.87 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.069 0.85 . . . . 0.0 110.323 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -59.61 -42.33 92.38 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.372 1.069 . . . . 0.0 111.093 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -63.68 -4.22 2.88 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 18.6 m -118.9 9.31 11.92 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 113.433 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -113.74 -47.49 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.469 1.507 . . . . 0.0 110.21 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -19.84 60.96 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.469 1.032 . . . . 0.0 111.677 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.11 -32.38 73.48 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.372 -0.83 . . . . 0.0 112.841 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -70.0 -41.41 74.39 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.431 -0.793 . . . . 0.0 111.871 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.583 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.5 mt -61.91 -48.4 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.67 0.788 . . . . 0.0 109.581 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' B' ' 18' ' ' TYR . 17.5 mt -52.48 -45.37 66.13 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.606 1.094 . . . . 0.0 112.393 175.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.35 -40.0 77.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -62.09 -39.73 93.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 112.318 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 35.6 mm-40 -71.67 -38.48 70.63 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.607 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.07 -38.82 80.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.429 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -57.76 -46.61 84.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.66 1.184 . . . . 0.0 112.301 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.415 ' CE1' HG23 ' A' ' 37' ' ' ILE . 53.8 m170 -61.95 -42.03 98.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.155 0.982 . . . . 0.0 111.933 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -36.93 78.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.251 1.02 . . . . 0.0 111.602 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -58.21 -46.32 86.06 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.871 1.669 . . . . 0.0 112.045 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.531 ' CE3' ' HE3' ' A' ' 36' ' ' LYS . 18.8 m0 -72.35 -40.87 67.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.49 0.716 . . . . 0.0 111.823 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.86 -44.48 86.61 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.443 1.497 . . . . 0.0 112.18 172.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -62.44 -43.95 97.58 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.21 0.604 . . . . 0.0 111.77 170.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -61.23 -28.39 69.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HE2' ' A' ' 30' ' ' LYS . 32.6 mm -93.49 -21.22 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.563 1.545 . . . . 0.0 113.695 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -83.0 60.06 5.25 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.461 1.505 . . . . 0.0 112.271 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 C-N-CA 125.278 1.418 . . . . 0.0 112.915 179.746 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.548 0.214 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.8 59.56 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.857 1.663 . . . . 0.0 112.658 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.95 -25.01 0.62 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.23 -32.9 74.8 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.539 1.135 . . . . 0.0 113.605 -166.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.61 -34.25 64.95 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.516 1.126 . . . . 0.0 111.939 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.7 -40.69 97.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.557 1.143 . . . . 0.0 111.334 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.12 -55.08 39.54 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.082 0.953 . . . . 0.0 111.399 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.44 84.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.092 2.557 . . . . 0.0 113.684 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -66.64 -54.11 26.85 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.494 -0.754 . . . . 0.0 112.838 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.33 -31.98 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.815 0.846 . . . . 0.0 113.043 173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.585 ' OE1' ' OE2' ' B' ' 41' ' ' GLU . 2.1 mm-40 -57.68 -40.49 79.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.266 1.027 . . . . 0.0 112.9 165.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.82 -19.07 31.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -64.17 -37.79 88.74 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.221 -0.924 . . . . 0.0 111.601 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.79 95.07 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.216 0.462 . . . . 0.0 110.287 170.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.86 0.864 . . . . 0.0 113.219 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -63.2 -45.0 93.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.737 0.699 . . . . 0.0 111.61 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.924 HD22 HD11 ' B' ' 7' ' ' LEU . 1.1 mt -58.78 -45.79 89.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 172.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HD1' HD12 ' A' ' 34' ' ' LEU . 8.1 m-85 -59.32 -41.56 89.4 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.469 1.907 . . . . 0.0 112.887 177.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -64.86 -31.41 72.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.099 0.863 . . . . 0.0 112.827 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -87.36 -38.73 15.93 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.504 1.121 . . . . 0.0 112.313 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.93 75.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.823 0.849 . . . . 0.0 111.777 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -27.4 68.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.364 1.065 . . . . 0.0 113.625 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.27 -48.1 45.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.176 -0.953 . . . . 0.0 111.377 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -66.62 -46.5 75.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.369 0.668 . . . . 0.0 111.533 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.92 44.63 0.94 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.032 1.733 . . . . 0.0 112.608 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -15.55 27.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -63.85 132.94 95.4 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 126.457 1.903 . . . . 0.0 111.319 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.77 -18.14 57.66 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.627 2.885 . . . . 0.0 114.526 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.86 -29.34 69.47 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.181 0.901 . . . . 0.0 113.005 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.37 -36.39 5.8 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.055 1.742 . . . . 0.0 113.009 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -65.49 -3.99 5.2 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 m -116.85 12.83 14.88 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.996 1.319 . . . . 0.0 113.351 168.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' B' ' 51' ' ' ILE . 29.4 t -117.63 -50.38 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.937 1.695 . . . . 0.0 110.194 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' HD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -69.12 -19.2 64.04 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.259 0.936 . . . . 0.0 111.746 171.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -61.5 -34.82 76.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.059 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 0.1 OUTLIER -74.37 -41.11 61.56 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.193 0.997 . . . . 0.0 111.824 -177.211 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.42 HG13 ' CE3' ' B' ' 47' ' ' TRP . 78.6 mt -64.0 -45.17 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.373 0.669 . . . . 0.0 109.526 167.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' A' ' 18' ' ' TYR . 17.3 mt -54.76 -39.79 68.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.086 1.312 . . . . 0.0 113.088 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.28 0.946 . . . . 0.0 112.399 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.558 ' HB2' ' HE2' ' B' ' 44' ' ' HIS . 27.4 m-20 -60.78 -38.99 87.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.902 1.281 . . . . 0.0 112.325 174.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.904 ' OE2' ' CE1' ' B' ' 44' ' ' HIS . 51.6 mm-40 -76.18 -38.3 56.76 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.922 -1.111 . . . . 0.0 111.323 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.64 -35.84 75.19 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.442 -0.786 . . . . 0.0 111.539 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -63.66 -39.78 95.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.9 0.88 . . . . 0.0 112.539 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.803 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 56.0 m170 -63.68 -48.23 78.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 119.513 1.052 . . . . 0.0 111.595 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.02 -37.4 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.389 0.675 . . . . 0.0 112.044 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.07 -49.02 74.98 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.521 1.055 . . . . 0.0 112.682 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.792 ' CH2' ' HB3' ' B' ' 36' ' ' LYS . 33.2 m0 -72.22 -39.88 68.19 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.535 -0.728 . . . . 0.0 112.258 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.19 -28.22 51.48 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.822 1.649 . . . . 0.0 113.375 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -40.61 15.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.827 0.851 . . . . 0.0 110.534 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -57.29 -25.72 59.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.338 1.055 . . . . 0.0 112.775 170.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.437 HD11 HG11 ' B' ' 33' ' ' VAL . 69.9 mt -94.1 -5.8 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 126.939 2.095 . . . . 0.0 112.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -129.57 56.78 1.69 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.179 1.792 . . . . 0.0 112.517 -169.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 C-N-CA 125.233 1.396 . . . . 0.0 113.933 172.474 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.161 0.505 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -156.69 169.05 25.6 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.91 1.684 . . . . 0.0 109.854 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 46.52 67.42 0.77 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.712 1.605 . . . . 0.0 113.321 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.55 -62.02 0.53 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.955 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -59.35 -29.0 67.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.327 1.051 . . . . 0.0 113.042 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -71.3 -48.38 51.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.473 1.109 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 17' ' ' LEU . 9.9 mp -64.87 -47.4 77.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.237 1.415 . . . . 0.0 112.227 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -45.54 -37.2 5.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.968 2.507 . . . . 0.0 114.548 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -68.19 -55.38 12.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.85 -36.05 81.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.309 1.044 . . . . 0.0 112.261 171.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.29 -39.49 75.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.156 1.383 . . . . 0.0 111.839 170.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -85.95 -19.81 29.89 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -63.44 -34.68 78.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.015 0.825 . . . . 0.0 112.229 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -43.05 77.77 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 118.664 0.665 . . . . 0.0 110.31 171.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.01 -40.71 94.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.352 0.978 . . . . 0.0 112.67 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -64.06 -41.01 97.5 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.283 -0.886 . . . . 0.0 112.338 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.67 -44.36 96.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.134 0.574 . . . . 0.0 112.126 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' B' ' 38' ' ' LEU . 10.4 m-85 -63.96 -34.01 77.0 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -60.54 -39.87 89.46 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.97 0.908 . . . . 0.0 112.942 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -39.78 27.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.805 0.73 . . . . 0.0 112.525 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.45 66.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.569 1.148 . . . . 0.0 112.082 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.1 t -60.91 -34.44 74.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.231 1.012 . . . . 0.0 112.912 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -72.11 -42.74 65.74 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.988 -1.07 . . . . 0.0 112.04 173.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -30.06 67.02 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.708 1.203 . . . . 0.0 113.339 169.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.27 39.04 3.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.581 1.952 . . . . 0.0 112.739 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -20.09 5.97 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.42 134.92 85.38 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.168 1.387 . . . . 0.0 111.917 171.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.45 -23.16 51.04 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.062 2.508 . . . . 0.0 114.381 -172.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.01 -56.03 25.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.615 0.766 . . . . 0.0 112.116 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -67.89 -37.23 81.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.616 0.767 . . . . 0.0 112.448 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -62.2 -2.58 1.01 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.3 t -122.18 19.7 10.67 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 112.942 168.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 51' ' ' ILE . 42.9 t -126.15 -47.87 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.672 1.989 . . . . 0.0 110.649 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -19.4 62.54 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.586 1.085 . . . . 0.0 111.255 169.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -67.95 -33.24 74.29 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 112.63 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.792 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 9.0 mmtp -68.55 -39.99 80.87 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.479 0.711 . . . . 0.0 112.632 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.446 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 70.4 mt -64.18 -48.56 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.179 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 18' ' ' TYR . 23.9 mt -53.26 -41.65 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.101 1.319 . . . . 0.0 113.005 176.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.29 -46.42 80.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.06 0.845 . . . . 0.0 113.23 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.803 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 26.5 m-20 -59.02 -41.88 88.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.54 1.136 . . . . 0.0 111.933 173.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.643 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 45.0 mm-40 -74.47 -39.07 62.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 111.016 -176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.63 -36.59 79.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.582 -0.699 . . . . 0.0 111.569 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -63.15 -42.86 99.54 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.309 0.644 . . . . 0.0 112.488 173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.963 ' CD2' HG23 ' A' ' 37' ' ' ILE . 52.5 m170 -60.38 -46.3 90.45 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.311 0.96 . . . . 0.0 111.602 174.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.94 -40.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.982 0.913 . . . . 0.0 110.946 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.86 -43.32 90.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.652 0.66 . . . . 0.0 112.044 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 1.42 ' CE3' HG13 ' A' ' 37' ' ' ILE . 24.8 m0 -72.83 -42.1 64.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.829 0.852 . . . . 0.0 111.958 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.59 -43.16 84.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.724 1.61 . . . . 0.0 112.237 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -40.18 77.04 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.592 0.757 . . . . 0.0 111.841 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 47.2 m -59.9 -29.82 68.61 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.515 -0.741 . . . . 0.0 112.9 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 41.7 mt -91.08 -12.16 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.75 2.02 . . . . 0.0 113.14 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -73.02 129.51 38.26 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.837 1.255 . . . . 0.0 112.161 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.591 1.567 . . . . 0.0 112.856 178.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . 0.643 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.0 164.36 12.92 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.972 0.909 . . . . 0.0 112.598 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -119.96 -9.57 9.63 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -166.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD21 ' HZ1' ' B' ' 30' ' ' LYS . 2.4 mt -68.64 -46.69 68.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.482 -0.761 . . . . 0.0 111.87 -168.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ttt-85 -56.6 -33.45 66.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.409 1.484 . . . . 0.0 112.975 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.02 -47.02 84.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.919 0.887 . . . . 0.0 112.22 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.21 -55.58 23.8 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 112.235 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.57 45.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.687 2.395 . . . . 0.0 112.596 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -67.11 -43.5 82.33 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.19 -35.78 78.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.766 0.826 . . . . 0.0 112.68 173.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -43.31 67.33 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.494 1.517 . . . . 0.0 112.124 164.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -79.85 -21.74 43.77 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.21 -35.58 81.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.924 1.238 . . . . 0.0 111.984 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.08 67.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.105 0.866 . . . . 0.0 110.734 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 tpt -57.4 -40.41 78.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.158 0.983 . . . . 0.0 113.33 173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -41.59 79.46 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.877 -1.139 . . . . 0.0 110.431 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.46 -42.96 97.27 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.423 0.689 . . . . 0.0 111.82 172.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 7.1 m-85 -59.71 -37.62 79.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.121 1.768 . . . . 0.0 113.858 173.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.14 -41.98 89.58 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.951 0.9 . . . . 0.0 112.673 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -94.9 -27.89 15.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.352 1.061 . . . . 0.0 113.591 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.02 70.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.692 1.197 . . . . 0.0 111.65 166.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -57.04 -31.56 65.28 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 169.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -67.58 -39.99 84.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.0 -1.062 . . . . 0.0 112.418 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -49.95 56.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.198 0.599 . . . . 0.0 110.816 171.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.63 34.92 0.06 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 128.211 2.605 . . . . 0.0 114.195 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -57.3 -23.76 50.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.086 1.754 . . . . 0.0 114.441 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.33 129.05 93.04 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.741 1.217 . . . . 0.0 110.552 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.35 -21.65 60.91 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.143 2.562 . . . . 0.0 114.187 -170.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.76 -46.79 80.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.967 0.803 . . . . 0.0 111.717 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -34.39 64.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.815 1.646 . . . . 0.0 112.165 171.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -59.33 -48.79 80.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.803 0.841 . . . . 0.0 110.819 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -77.64 7.96 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.39 -53.21 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.77 1.228 . . . . 0.0 110.395 171.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -68.15 -21.92 64.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.138 1.335 . . . . 0.0 112.606 174.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.86 -33.0 74.71 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.519 1.054 . . . . 0.0 113.257 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -68.08 -38.75 82.73 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.668 1.122 . . . . 0.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' A' ' 18' ' ' TYR . 82.8 mt -61.42 -52.46 60.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.29 165.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.328 0.2 OUTLIER -56.19 -35.24 67.04 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.16 1.8 . . . . 0.0 112.872 -178.28 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.1 -42.87 83.84 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.166 -0.959 . . . . 0.0 113.493 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -63.34 -36.68 84.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.021 1.328 . . . . 0.0 112.451 171.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -84.36 -33.37 23.85 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.162 0.985 . . . . 0.0 110.516 -165.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.85 -36.12 78.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.109 0.964 . . . . 0.0 112.219 164.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.9 -37.51 87.88 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.033 0.933 . . . . 0.0 112.964 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -60.74 -42.97 98.42 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.434 1.094 . . . . 0.0 112.139 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.81 -36.29 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.21 1.004 . . . . 0.0 111.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.84 -43.17 99.39 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 120.152 1.342 . . . . 0.0 112.688 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -69.96 -41.44 74.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.449 0.699 . . . . 0.0 111.771 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.26 -41.79 72.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.326 1.45 . . . . 0.0 111.405 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -63.53 -47.55 81.17 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.836 0.854 . . . . 0.0 112.467 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -57.43 -26.56 61.35 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.52 -10.74 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.236 1.814 . . . . 0.0 113.906 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.64 57.09 1.04 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.025 1.33 . . . . 0.0 111.794 -171.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 C-N-CA 125.222 1.391 . . . . 0.0 113.804 171.832 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 119.906 -0.092 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -91.94 76.63 5.5 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.033 1.733 . . . . 0.0 113.181 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -134.84 32.62 3.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.911 1.284 . . . . 0.0 113.917 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.67 -50.71 0.98 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -57.51 -43.0 83.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.803 1.183 . . . . 0.0 111.216 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.32 -47.43 81.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.024 1.33 . . . . 0.0 112.573 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.41 -56.96 12.05 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.988 1.315 . . . . 0.0 111.198 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -45.06 68.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.736 2.014 . . . . 0.0 112.663 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -68.88 -39.13 79.96 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.8 -40.09 76.18 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.833 0.853 . . . . 0.0 112.414 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -38.6 56.19 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.434 1.494 . . . . 0.0 111.612 166.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -85.56 -26.41 26.18 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -69.07 -38.84 79.25 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.224 -0.922 . . . . 0.0 111.522 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.79 86.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.54 0.609 . . . . 0.0 110.592 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.0 tpt -63.87 -42.48 97.51 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.884 0.766 . . . . 0.0 112.369 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -67.79 -40.04 83.96 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.59 -45.64 81.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.324 0.65 . . . . 0.0 111.643 168.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.26 -40.69 91.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.505 1.522 . . . . 0.0 113.829 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -59.67 -41.63 91.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.392 1.077 . . . . 0.0 112.56 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.32 -38.31 26.93 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.01 0.924 . . . . 0.0 112.987 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.2 65.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.658 -0.686 . . . . 0.0 112.029 170.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -59.29 -32.17 69.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.835 1.198 . . . . 0.0 113.14 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.12 -44.45 47.05 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.108 -0.995 . . . . 0.0 111.918 170.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -65.05 -27.86 69.08 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.593 1.157 . . . . 0.0 113.753 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.89 31.71 3.76 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.866 2.466 . . . . 0.0 112.58 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -13.58 3.78 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -169.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -58.7 127.25 82.19 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.376 1.07 . . . . 0.0 109.949 169.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.02 -26.39 73.84 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.797 2.332 . . . . 0.0 113.834 -171.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.0 -49.39 77.0 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.134 0.973 . . . . 0.0 112.261 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.49 ' HZ1' HD21 ' A' ' 4' ' ' LEU . 60.2 tttt -81.18 -40.34 24.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.15 1.78 . . . . 0.0 112.533 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -58.31 -24.61 60.16 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -98.2 5.84 48.06 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 175.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.68 -46.93 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.22 1.408 . . . . 0.0 110.51 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.253 0.6 OUTLIER -68.76 -19.3 64.32 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.654 1.115 . . . . 0.0 112.752 172.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.74 -41.31 95.11 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.99 -35.67 78.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.32 0.963 . . . . 0.0 112.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.95 -51.36 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.441 169.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.292 0.3 OUTLIER -61.17 -35.03 76.02 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.671 1.123 . . . . 0.0 112.391 -177.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.18 -40.16 78.27 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.114 -0.991 . . . . 0.0 112.928 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.03 -38.12 87.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.293 1.037 . . . . 0.0 112.112 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -70.97 -38.92 72.79 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.186 -0.946 . . . . 0.0 111.321 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.26 -38.02 73.25 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.505 -0.747 . . . . 0.0 111.661 171.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -67.36 -39.06 85.69 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -62.58 -45.95 90.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 119.809 1.186 . . . . 0.0 111.373 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.96 -39.89 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 112.12 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -55.48 -49.01 73.64 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.693 1.133 . . . . 0.0 111.811 172.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -72.31 -37.79 68.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.944 0.498 . . . . 0.0 112.011 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.76 -44.32 81.67 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.816 1.646 . . . . 0.0 112.443 172.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.59 -43.64 96.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.137 0.575 . . . . 0.0 112.094 172.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -61.87 -30.59 70.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.256 1.022 . . . . 0.0 112.526 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -86.95 -13.64 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.054 1.741 . . . . 0.0 113.441 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -106.79 69.01 0.75 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.389 1.475 . . . . 0.0 111.821 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.744 1.64 . . . . 0.0 112.84 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.5 mtp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.484 0.183 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -122.34 16.08 10.55 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.656 1.583 . . . . 0.0 114.348 -163.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -59.38 -25.59 64.4 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.21 -36.74 84.64 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -70.38 -40.14 74.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.558 0.743 . . . . 0.0 111.53 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.93 -40.04 87.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.766 1.226 . . . . 0.0 111.245 172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 0.1 OUTLIER -63.02 -56.15 19.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.387 1.875 . . . . 0.0 111.376 175.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -41.62 68.59 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.378 2.271 . . . . 0.0 112.771 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -67.33 -47.55 70.17 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.88 -37.71 85.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.72 0.808 . . . . 0.0 112.324 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -37.67 70.23 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.81 1.644 . . . . 0.0 113.466 168.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -86.08 -20.94 28.0 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.27 -31.32 72.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 118.385 -0.816 . . . . 0.0 112.538 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.77 64.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.943 1.247 . . . . 0.0 111.837 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 mtp -63.17 -42.27 99.36 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.634 1.106 . . . . 0.0 112.694 173.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -64.34 -40.99 96.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.708 0.803 . . . . 0.0 111.159 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.4 -45.32 94.83 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.593 1.157 . . . . 0.0 112.375 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.4 m-85 -61.46 -33.01 73.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.639 1.175 . . . . 0.0 113.279 176.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -39.99 73.9 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.149 1.38 . . . . 0.0 111.914 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -88.62 -37.83 15.31 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.734 1.214 . . . . 0.0 113.067 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -29.74 60.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.708 0.803 . . . . 0.0 112.253 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -57.79 -36.18 71.83 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.427 1.091 . . . . 0.0 113.093 170.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.2 -42.67 72.07 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.152 -0.968 . . . . 0.0 112.355 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.45 -38.88 88.35 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 113.156 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.02 24.89 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.989 2.116 . . . . 0.0 114.29 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.81 1.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -68.48 131.43 91.62 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.927 1.691 . . . . 0.0 111.618 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.65 -28.78 77.07 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.257 2.638 . . . . 0.0 114.428 -167.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -55.76 -27.56 51.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.644 1.578 . . . . 0.0 114.449 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -31.77 5.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.636 1.975 . . . . 0.0 113.201 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.83 -29.54 62.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.888 0.875 . . . . 0.0 113.167 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -96.87 10.63 38.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.798 1.239 . . . . 0.0 114.076 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.08 -48.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.944 1.298 . . . . 0.0 110.21 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -22.48 64.86 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.498 1.044 . . . . 0.0 112.659 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.6 -33.46 75.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.035 0.934 . . . . 0.0 112.985 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -73.76 -37.09 65.14 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.438 -0.788 . . . . 0.0 112.351 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.42 -52.36 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 117.865 -1.064 . . . . 0.0 108.932 166.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 18' ' ' TYR . 19.2 mt -48.31 -42.18 30.31 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.138 1.335 . . . . 0.0 112.837 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.29 -39.16 82.18 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -68.51 -34.31 75.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.337 1.855 . . . . 0.0 113.134 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -39.11 23.34 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.436 1.894 . . . . 0.0 108.049 -169.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.81 -35.23 74.28 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 112.457 164.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -62.53 -42.48 99.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.52 -0.737 . . . . 0.0 111.847 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -61.64 -44.24 97.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.92 0.888 . . . . 0.0 111.364 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.15 -39.07 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.286 1.034 . . . . 0.0 112.04 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.787 1.176 . . . . 0.0 112.802 172.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -72.3 -41.32 66.76 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.557 0.743 . . . . 0.0 111.468 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.53 -39.25 70.3 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.939 1.696 . . . . 0.0 112.307 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.92 -47.18 81.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.929 0.892 . . . . 0.0 112.048 172.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -17.88 64.28 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.4 mt -91.18 -13.97 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.52 1.928 . . . . 0.0 113.468 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -115.48 25.0 11.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.923 1.289 . . . . 0.0 113.842 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.234 0 CA-C-O 118.184 -1.342 . . . . 0.0 113.732 169.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -146.79 117.14 7.41 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.583 1.083 . . . . 0.0 111.455 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -170.81 35.25 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.482 1.913 . . . . 0.0 112.627 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.75 -59.64 1.2 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -173.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -60.92 -33.95 73.95 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.964 1.256 . . . . 0.0 112.081 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.78 -48.58 66.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.303 1.441 . . . . 0.0 112.197 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.69 -51.16 36.97 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.609 1.564 . . . . 0.0 112.274 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.38 -40.94 60.24 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.516 1.927 . . . . 0.0 112.314 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -60.56 -52.36 65.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.07 -36.34 81.81 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.838 0.855 . . . . 0.0 111.779 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.2 -34.77 61.36 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.015 164.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -93.24 -21.75 19.43 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.188 -0.945 . . . . 0.0 111.501 170.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.35 92.33 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.612 0.642 . . . . 0.0 110.369 169.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -60.43 -42.02 95.2 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.324 1.05 . . . . 0.0 112.841 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -40.47 86.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.385 -0.822 . . . . 0.0 112.838 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.88 -44.35 94.24 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 5.7 m-85 -59.42 -42.01 90.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.163 2.185 . . . . 0.0 113.589 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -59.74 -42.85 94.09 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.347 1.059 . . . . 0.0 112.329 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.73 -33.94 27.38 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.979 0.912 . . . . 0.0 112.806 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.76 71.94 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.241 1.016 . . . . 0.0 111.186 168.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -57.56 -32.71 67.39 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.266 1.026 . . . . 0.0 113.186 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.46 -44.74 70.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.284 -0.885 . . . . 0.0 112.249 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -65.78 -41.67 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.26 0.624 . . . . 0.0 112.3 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.62 28.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.789 2.436 . . . . 0.0 113.496 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -14.1 45.07 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.63 126.76 83.64 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.288 1.035 . . . . 0.0 109.754 167.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.33 -18.59 55.55 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.065 2.51 . . . . 0.0 114.229 -168.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -62.02 -56.28 20.6 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.351 0.978 . . . . 0.0 110.649 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -69.34 -40.72 77.38 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.349 1.46 . . . . 0.0 112.248 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -57.78 -20.83 38.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.742 1.217 . . . . 0.0 113.683 173.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -105.69 8.83 33.2 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.787 1.235 . . . . 0.0 113.967 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.1 t -114.31 -44.44 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.327 1.451 . . . . 0.0 110.811 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -17.37 62.48 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.868 1.213 . . . . 0.0 112.171 172.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -36.85 83.74 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.314 1.046 . . . . 0.0 113.255 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.16 -40.09 78.38 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.825 -0.547 . . . . 0.0 111.965 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.487 HG21 ' CZ ' ' B' ' 18' ' ' TYR . 65.3 mt -65.27 -46.5 90.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.79 171.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.86 -42.79 65.55 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.617 1.098 . . . . 0.0 112.491 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -69.86 -40.66 75.62 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.81 -39.63 89.68 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.539 1.135 . . . . 0.0 112.306 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -73.84 -37.35 64.85 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.026 -1.046 . . . . 0.0 111.322 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.61 -36.98 77.37 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.653 -0.654 . . . . 0.0 111.553 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -62.71 -43.72 98.08 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.87 0.868 . . . . 0.0 112.275 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -63.47 -46.26 87.0 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.4 1.0 . . . . 0.0 111.989 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.21 -39.64 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 123.829 0.852 . . . . 0.0 112.178 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.7 -43.97 90.18 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.865 1.211 . . . . 0.0 112.932 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -74.29 -39.27 63.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.52 0.728 . . . . 0.0 111.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.28 -41.23 72.0 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.336 1.454 . . . . 0.0 111.817 171.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.71 -46.81 80.74 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -21.46 66.75 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 29.2 mm -92.92 -18.48 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.856 1.662 . . . . 0.0 113.594 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -70.36 141.94 52.19 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.116 0.967 . . . . 0.0 111.907 176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 C-N-CA 125.847 1.689 . . . . 0.0 112.756 177.514 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtm . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.816 -0.611 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -74.71 64.19 1.21 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.001 1.32 . . . . 0.0 113.132 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.953 ' HE1' HD22 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -149.15 49.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.792 1.637 . . . . 0.0 110.388 -169.156 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -139.17 -46.6 0.47 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.96 -36.33 83.61 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.587 1.085 . . . . 0.0 111.227 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.04 -41.38 74.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.363 1.465 . . . . 0.0 112.051 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.649 HD23 HD13 ' B' ' 17' ' ' LEU . 69.5 mt -73.26 -53.38 11.02 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.793 0.837 . . . . 0.0 111.823 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.83 -40.69 10.16 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.434 2.294 . . . . 0.0 112.407 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -70.29 -50.5 38.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -30.78 71.62 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 168.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.89 -40.37 80.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.174 1.389 . . . . 0.0 111.039 164.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -75.82 -23.63 55.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.22 -33.68 76.37 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 111.855 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.63 84.92 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.535 167.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mmt -61.9 -41.28 97.71 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.553 1.069 . . . . 0.0 113.708 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.6 -38.68 87.5 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.526 -0.734 . . . . 0.0 111.659 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 7' ' ' LEU . 1.8 mt -60.74 -43.21 98.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 167.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -63.9 -32.53 74.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.69 1.596 . . . . 0.0 113.798 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -58.03 -44.84 87.59 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.651 1.114 . . . . 0.0 112.149 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.63 -37.16 50.68 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.01 65.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.254 1.022 . . . . 0.0 112.496 172.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -62.42 -35.74 80.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 112.97 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.95 -38.37 53.44 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.836 -1.165 . . . . 0.0 112.652 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -60.97 -34.83 75.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.062 0.945 . . . . 0.0 112.221 171.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.92 -66.53 0.56 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.546 1.139 . . . . 0.0 112.324 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 41.51 27.63 0.06 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.161 2.184 . . . . 0.0 115.153 -167.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -128.58 132.24 24.24 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.353 1.861 . . . . 0.0 110.398 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.35 -19.78 32.88 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.118 2.545 . . . . 0.0 114.461 -167.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.92 -55.92 12.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.548 1.067 . . . . 0.0 110.546 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HE2' HG12 ' B' ' 51' ' ' ILE . 5.0 tmtt? -61.99 -38.63 89.31 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.355 1.462 . . . . 0.0 111.794 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 36.0 tttt -64.44 -4.58 4.08 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -118.27 13.7 13.73 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.383 1.473 . . . . 0.0 113.168 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -114.92 -50.26 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.577 1.551 . . . . 0.0 110.151 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -69.17 -21.93 63.96 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.326 0.966 . . . . 0.0 112.038 174.244 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -66.16 -33.84 76.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.897 1.279 . . . . 0.0 112.287 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -75.6 -35.15 60.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.633 -0.667 . . . . 0.0 112.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.609 HG13 ' CE3' ' B' ' 47' ' ' TRP . 68.7 mt -61.26 -51.43 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.647 0.779 . . . . 0.0 109.5 163.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.98 -41.33 62.07 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.472 1.487 . . . . 0.0 112.942 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.86 -41.54 78.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.539 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 29.7 m-20 -61.57 -39.55 91.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 112.305 171.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.629 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 43.3 mm-40 -77.24 -33.78 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 111.179 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.43 -36.91 79.31 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.096 -1.002 . . . . 0.0 111.767 167.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -60.33 -43.0 96.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.995 0.918 . . . . 0.0 111.969 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.535 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 49.7 m170 -62.58 -43.68 98.21 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 111.631 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.98 -40.71 81.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.243 1.017 . . . . 0.0 112.225 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.31 -43.41 88.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.908 1.231 . . . . 0.0 112.738 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.831 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 24.5 m0 -72.0 -42.08 66.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.582 0.753 . . . . 0.0 111.656 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.18 -43.23 78.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.632 1.573 . . . . 0.0 112.203 173.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.73 -40.93 88.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.682 0.793 . . . . 0.0 112.186 173.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -61.49 -31.49 71.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.811 0.844 . . . . 0.0 112.751 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -83.56 -19.38 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.533 1.533 . . . . 0.0 113.65 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -67.97 140.21 56.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.454 1.101 . . . . 0.0 111.745 176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 C-N-CA 125.301 1.429 . . . . 0.0 113.011 -177.514 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -136.39 71.17 1.41 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.614 1.165 . . . . 0.0 112.207 -164.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -144.1 52.48 1.29 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.409 2.284 . . . . 0.0 110.351 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.51 -74.96 0.28 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.585 2.354 . . . . 0.0 110.233 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -27.51 68.7 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.439 1.472 . . . . 0.0 113.619 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.88 -33.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.411 1.085 . . . . 0.0 113.507 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.525 ' CD2' HD22 ' A' ' 17' ' ' LEU . 10.0 mt -77.02 -50.02 14.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.527 0.731 . . . . 0.0 109.885 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -44.17 44.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 128.96 2.904 . . . . 0.0 113.386 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -71.66 -45.32 62.33 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.5 -33.39 74.06 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.595 1.158 . . . . 0.0 113.269 168.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.93 -37.87 69.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.05 0.94 . . . . 0.0 112.508 163.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -83.28 -20.85 33.67 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -63.93 -36.07 82.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.574 1.079 . . . . 0.0 111.932 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.92 86.7 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.716 0.689 . . . . 0.0 110.373 171.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -39.02 93.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.157 0.983 . . . . 0.0 113.038 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -64.36 -42.05 96.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.258 1.423 . . . . 0.0 112.429 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.953 HD22 ' HE1' ' A' ' 3' ' ' TYR . 4.7 mt -57.99 -47.17 83.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.865 0.866 . . . . 0.0 111.176 169.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -64.03 -36.42 83.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.985 1.714 . . . . 0.0 114.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -55.19 -46.62 75.87 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.363 1.065 . . . . 0.0 112.453 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -82.54 -38.03 24.33 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.61 0.764 . . . . 0.0 112.604 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.86 -40.21 66.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -57.57 -29.05 64.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.678 1.126 . . . . 0.0 114.017 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.28 -50.4 16.19 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.052 1.296 . . . . 0.0 111.7 169.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -65.63 -19.53 65.95 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.752 1.221 . . . . 0.0 114.016 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.76 28.21 8.79 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.713 2.405 . . . . 0.0 112.843 -173.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -19.7 1.34 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -59.45 130.02 87.32 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.963 1.705 . . . . 0.0 112.04 169.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.29 -27.07 41.17 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.847 2.365 . . . . 0.0 114.328 -165.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.25 -46.91 65.98 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.71 0.804 . . . . 0.0 112.639 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -81.67 -44.57 16.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.552 1.941 . . . . 0.0 111.384 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' CD2' ' B' ' 34' ' ' LEU . 66.1 tttt -60.89 -18.95 59.34 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -106.5 7.8 31.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.955 1.302 . . . . 0.0 114.381 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.98 -47.99 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.115 1.366 . . . . 0.0 110.432 171.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.8 OUTLIER -65.8 -24.02 66.83 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.564 1.075 . . . . 0.0 112.651 176.069 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -65.44 -35.66 81.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.851 0.86 . . . . 0.0 112.454 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -67.61 -42.1 82.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.062 0.945 . . . . 0.0 112.037 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.831 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 85.8 mt -63.18 -47.43 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.933 0.893 . . . . 0.0 109.201 170.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.64 -40.05 71.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.772 1.169 . . . . 0.0 113.477 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.92 -31.4 70.27 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.599 1.091 . . . . 0.0 113.575 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.428 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 13.2 m-20 -71.66 -38.53 70.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.686 1.195 . . . . 0.0 112.359 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.535 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 48.2 mm-40 -74.74 -37.84 62.4 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.866 -1.147 . . . . 0.0 111.129 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.12 -33.84 72.68 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.408 -0.807 . . . . 0.0 111.779 172.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.05 -43.36 87.69 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.74 0.816 . . . . 0.0 112.069 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.539 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 54.1 m170 -60.65 -41.46 94.99 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.131 0.972 . . . . 0.0 111.917 174.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.57 -42.2 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.293 1.037 . . . . 0.0 112.029 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.14 -41.1 96.11 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.285 -0.884 . . . . 0.0 112.942 174.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.609 ' CE3' HG13 ' A' ' 37' ' ' ILE . 41.8 m0 -73.12 -34.95 66.44 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.9 0.88 . . . . 0.0 111.417 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -47.94 81.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.544 1.137 . . . . 0.0 112.845 175.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -18.9 64.13 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.438 1.095 . . . . 0.0 113.654 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -90.49 -30.9 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.094 1.358 . . . . 0.0 111.232 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.527 HG12 ' HE2' ' A' ' 30' ' ' LYS . 51.5 mt -70.11 -30.57 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.652 1.581 . . . . 0.0 111.584 168.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -62.24 139.59 58.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.312 1.045 . . . . 0.0 111.541 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.262 0 C-N-CA 125.923 1.725 . . . . 0.0 112.799 -175.44 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . 0.629 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -70.23 79.5 0.52 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.675 1.59 . . . . 0.0 112.815 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -150.61 51.62 0.88 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.583 1.153 . . . . 0.0 110.06 -173.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.28 -49.35 1.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.313 1.445 . . . . 0.0 112.446 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -61.1 -32.97 72.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.847 1.659 . . . . 0.0 111.959 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.62 -55.35 35.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.278 1.831 . . . . 0.0 111.925 172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 HD11 HD22 ' B' ' 17' ' ' LEU . 8.0 mp -68.52 -44.5 74.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.069 1.347 . . . . 0.0 112.893 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -46.09 -39.07 8.82 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.956 2.102 . . . . 0.0 112.498 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -64.59 -56.42 14.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.797 0.839 . . . . 0.0 112.994 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.57 -33.49 76.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.873 0.869 . . . . 0.0 112.951 173.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.87 -41.56 70.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.64 1.176 . . . . 0.0 111.463 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -83.06 -19.25 37.21 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HB3' HD13 ' B' ' 10' ' ' LEU . 15.2 mm-40 -68.84 -36.47 78.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.408 1.004 . . . . 0.0 111.769 173.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.31 70.16 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.053 0.842 . . . . 0.0 110.748 170.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mmm -57.18 -45.81 83.37 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -69.58 -33.32 72.56 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.014 -1.054 . . . . 0.0 112.169 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' B' ' 6' ' ' GLU . 8.0 mt -62.0 -46.82 87.55 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.895 167.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 37' ' ' ILE . 4.3 m-85 -58.11 -37.41 74.52 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.818 1.647 . . . . 0.0 113.317 175.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -60.42 -24.09 64.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 126.203 1.801 . . . . 0.0 114.605 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -112.4 -35.38 5.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.256 1.423 . . . . 0.0 111.889 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.86 25.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.512 1.525 . . . . 0.0 112.986 163.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -57.24 -40.91 78.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.837 0.855 . . . . 0.0 113.006 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -76.08 -36.56 58.9 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.058 -1.026 . . . . 0.0 112.636 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.93 -35.47 80.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.369 1.067 . . . . 0.0 113.256 170.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.58 -63.98 0.99 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.426 1.09 . . . . 0.0 112.053 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 45.26 22.5 0.08 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.998 2.119 . . . . 0.0 115.608 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -125.55 132.43 24.31 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.65 1.58 . . . . 0.0 109.891 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.19 -22.35 34.81 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.788 2.325 . . . . 0.0 114.347 -161.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.83 -51.31 62.78 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.827 0.74 . . . . 0.0 111.132 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -42.42 97.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.341 1.056 . . . . 0.0 111.055 172.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.93 1.79 2.43 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m -126.72 22.11 6.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.184 1.794 . . . . 0.0 111.977 166.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG11 HD13 ' B' ' 51' ' ' ILE . 2.2 t -122.64 -55.66 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.016 2.126 . . . . 0.0 109.24 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -21.65 64.89 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.293 0.951 . . . . 0.0 110.958 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -65.87 -33.34 75.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.394 1.077 . . . . 0.0 112.723 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.64 -40.44 63.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.228 1.011 . . . . 0.0 111.772 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.489 HG21 ' CE2' ' A' ' 18' ' ' TYR . 2.4 mt -59.22 -52.53 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.142 164.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -55.65 -38.57 69.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.327 1.876 . . . . 0.0 113.237 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.27 -31.16 72.25 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.411 1.005 . . . . 0.0 113.526 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.23 -23.26 35.46 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 113.551 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -104.12 -23.86 13.24 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.478 -1.389 . . . . 0.0 108.568 -160.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -42.36 76.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.55 1.54 . . . . 0.0 112.902 149.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -62.79 -40.94 98.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.426 1.09 . . . . 0.0 112.355 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.597 ' CE1' HG23 ' B' ' 37' ' ' ILE . 61.9 m170 -63.86 -40.15 95.87 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.69 -39.29 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.02 0.928 . . . . 0.0 111.635 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.98 -44.63 94.37 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.655 1.116 . . . . 0.0 112.261 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.729 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 40.5 m0 -69.88 -42.86 72.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.603 0.761 . . . . 0.0 111.782 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 mt -53.86 -42.29 68.4 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.695 1.598 . . . . 0.0 111.89 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -66.38 -38.96 88.71 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.0 m -64.99 -30.4 71.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.986 0.812 . . . . 0.0 112.18 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.56 -16.94 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.596 1.558 . . . . 0.0 113.53 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -62.11 152.44 32.85 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.409 1.484 . . . . 0.0 112.829 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.914 1.721 . . . . 0.0 113.046 -176.719 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptt? . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.286 0.088 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -145.41 29.53 1.15 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.749 1.22 . . . . 0.0 114.049 -160.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -111.66 37.7 2.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.708 1.203 . . . . 0.0 114.21 -161.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.669 HD12 ' H ' ' B' ' 5' ' ' ARG 0.291 0.8 OUTLIER -123.97 -64.07 1.16 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.543 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.669 ' H ' HD12 ' B' ' 4' ' ' LEU . 26.6 mtt85 -57.32 -37.85 73.14 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.502 1.501 . . . . 0.0 112.179 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 17' ' ' LEU . 17.7 tt0 -57.14 -43.83 82.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.736 0.814 . . . . 0.0 112.43 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.42 -57.57 4.67 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.363 1.465 . . . . 0.0 112.165 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -44.88 62.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.92 2.088 . . . . 0.0 112.274 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -65.88 -44.35 85.63 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 13' ' ' GLN . 12.8 mt -68.06 -38.86 82.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.211 0.914 . . . . 0.0 113.286 171.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.01 -36.8 41.34 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.598 1.159 . . . . 0.0 111.315 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -84.82 -26.93 27.13 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.56 -35.47 79.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.894 1.224 . . . . 0.0 111.504 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.95 87.41 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.552 0.615 . . . . 0.0 110.753 168.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -38.67 88.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.112 0.869 . . . . 0.0 112.923 176.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -71.47 -39.47 70.89 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.568 0.747 . . . . 0.0 112.145 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.457 HD22 HD11 ' A' ' 7' ' ' LEU . 5.0 mt -58.01 -48.08 81.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.66 0.784 . . . . 0.0 111.646 167.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 9.2 m-85 -54.1 -42.19 69.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.441 1.497 . . . . 0.0 114.843 170.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -63.21 -42.01 99.23 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.079 1.309 . . . . 0.0 112.85 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.35 -39.56 65.11 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.087 0.47 . . . . 0.0 112.018 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.69 63.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.987 166.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -58.52 -29.46 66.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -76.42 -49.19 17.32 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.599 1.545 . . . . 0.0 110.909 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -63.52 -36.7 84.66 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.352 1.061 . . . . 0.0 112.585 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.34 33.41 1.78 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.916 2.486 . . . . 0.0 112.429 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -20.77 0.97 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.695 1.998 . . . . 0.0 115.995 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.04 136.11 96.6 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 126.054 1.742 . . . . 0.0 112.053 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.09 -22.12 62.21 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.144 2.563 . . . . 0.0 114.67 -170.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.17 -45.99 90.94 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.038 0.835 . . . . 0.0 112.937 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -81.94 -43.13 18.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.981 1.312 . . . . 0.0 111.39 171.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.22 -13.15 16.24 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -111.23 6.22 20.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.642 1.177 . . . . 0.0 114.031 172.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.95 -48.74 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.782 1.633 . . . . 0.0 109.989 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -21.49 61.41 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.189 0.904 . . . . 0.0 112.192 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -66.81 -36.76 83.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.11 0.868 . . . . 0.0 111.937 176.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -65.49 -41.74 92.94 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.81 1.244 . . . . 0.0 112.74 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.729 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 84.7 mt -62.13 -46.87 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.983 0.913 . . . . 0.0 109.731 167.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -39.74 49.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.526 1.057 . . . . 0.0 113.028 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.66 -39.73 66.9 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.47 -40.49 94.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 112.238 171.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -76.49 -34.63 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.41 -0.806 . . . . 0.0 111.054 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.87 -37.05 73.24 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.785 -0.572 . . . . 0.0 111.562 167.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -66.94 -39.79 87.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.598 0.759 . . . . 0.0 112.858 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.431 ' CD2' HG13 ' A' ' 37' ' ' ILE . 49.9 m170 -61.7 -52.73 63.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 119.468 1.031 . . . . 0.0 111.208 175.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mm -54.37 -41.52 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 126.258 1.823 . . . . 0.0 113.316 172.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.4 -46.27 76.59 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.929 1.241 . . . . 0.0 112.579 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 22.9 m0 -74.17 -43.83 55.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.326 0.65 . . . . 0.0 110.945 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.89 -40.41 56.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.074 1.35 . . . . 0.0 112.316 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -65.66 -47.21 76.28 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -15.65 62.77 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.481 HD13 HG11 ' A' ' 33' ' ' VAL . 6.1 mt -107.46 -12.26 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.706 2.002 . . . . 0.0 113.661 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -74.61 167.04 22.54 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.652 1.181 . . . . 0.0 111.685 168.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.191 0 C-N-CA 125.118 1.342 . . . . 0.0 113.012 177.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.7 t0 58.26 72.24 0.53 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.285 1.834 . . . . 0.0 114.693 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -133.22 8.58 4.02 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.0 2.12 . . . . 0.0 112.61 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.05 -36.48 70.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.427 -1.42 . . . . 0.0 114.065 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.45 -30.53 68.46 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.302 1.041 . . . . 0.0 112.133 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -65.16 -43.03 93.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.398 0.679 . . . . 0.0 111.317 171.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.94 -51.68 68.65 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.873 0.469 . . . . 0.0 111.595 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.21 -43.22 31.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.287 2.235 . . . . 0.0 112.435 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -65.02 -51.33 62.18 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.31 -35.18 79.5 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 171.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.73 -35.07 68.13 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.179 1.392 . . . . 0.0 112.321 166.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -85.06 -17.61 36.89 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.98 -35.29 80.19 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.409 -1.432 . . . . 0.0 111.672 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -28.56 67.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.516 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tpt -77.41 -39.53 46.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.489 1.116 . . . . 0.0 111.043 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -60.42 -44.95 95.25 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.249 1.02 . . . . 0.0 112.114 168.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.82 -47.7 83.89 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.035 0.534 . . . . 0.0 111.95 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.88 -30.92 70.44 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -24.7 63.13 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 171.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.94 -35.68 7.22 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.834 1.254 . . . . 0.0 112.565 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.89 73.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.246 0.619 . . . . 0.0 111.605 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 t -58.37 -34.82 71.11 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 114.082 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.04 -45.25 70.9 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.122 -0.986 . . . . 0.0 111.555 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.79 -39.08 90.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.23 0.612 . . . . 0.0 112.009 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 33.63 0.19 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.257 2.223 . . . . 0.0 113.559 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -18.3 47.06 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.343 -1.473 . . . . 0.0 113.774 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -64.45 126.35 90.41 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 125.228 1.411 . . . . 0.0 110.714 171.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.9 -17.8 46.73 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 114.356 -170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -65.33 -54.93 21.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.052 0.842 . . . . 0.0 110.483 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.36 90.77 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.018 1.327 . . . . 0.0 111.924 172.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -67.26 4.42 0.96 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -121.89 9.68 10.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.466 1.506 . . . . 0.0 112.965 165.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 51' ' ' ILE . 68.5 t -110.79 -53.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.018 1.727 . . . . 0.0 110.267 174.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -21.52 66.01 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.488 1.04 . . . . 0.0 111.797 172.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.92 -33.21 74.25 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.264 -0.897 . . . . 0.0 112.499 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -71.43 -40.61 70.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.168 0.987 . . . . 0.0 111.989 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.08 -55.73 16.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 118.107 -0.949 . . . . 0.0 108.603 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.73 -31.65 68.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.442 1.473 . . . . 0.0 114.652 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.32 -39.25 74.87 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.788 1.176 . . . . 0.0 112.959 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.662 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 9.7 m-20 -63.91 -36.26 83.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.234 1.414 . . . . 0.0 112.249 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.619 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 4.6 tp10 -81.0 -34.56 32.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.71 1.204 . . . . 0.0 111.451 -167.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -61.4 -35.45 77.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.361 1.065 . . . . 0.0 111.745 163.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -61.96 -37.24 84.0 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.236 -0.915 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.568 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -62.56 -43.07 99.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.473 1.109 . . . . 0.0 112.127 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.06 -41.7 87.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.764 1.226 . . . . 0.0 112.136 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.65 -41.77 86.81 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.244 0.929 . . . . 0.0 112.327 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CE3' HG13 ' B' ' 37' ' ' ILE . 26.3 m0 -73.59 -42.89 60.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.57 0.748 . . . . 0.0 111.683 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.0 -40.48 70.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.289 1.436 . . . . 0.0 112.046 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -70.65 -43.64 68.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -23.66 66.72 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.96 -15.73 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.029 1.731 . . . . 0.0 113.333 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -66.1 153.56 41.98 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.773 0.829 . . . . 0.0 112.452 172.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.288 0 C-N-CA 125.829 1.681 . . . . 0.0 114.348 177.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -160.78 55.39 0.31 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.351 1.061 . . . . 0.0 112.006 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -139.7 64.57 1.45 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 123.401 1.572 . . . . 0.0 112.746 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.37 -59.4 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.071 1.348 . . . . 0.0 112.3 175.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -65.83 -36.32 83.13 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.362 0.983 . . . . 0.0 112.246 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.72 -38.39 84.92 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.329 1.052 . . . . 0.0 112.681 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.47 -53.43 28.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 111.078 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -41.9 91.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 128.103 2.561 . . . . 0.0 113.183 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -63.48 -52.67 60.36 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.56 -36.81 79.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.923 0.889 . . . . 0.0 112.992 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.47 -32.95 70.72 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.568 1.147 . . . . 0.0 113.741 168.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -93.42 -16.69 24.3 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.969 1.713 . . . . 0.0 115.263 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.74 -39.48 70.03 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 111.158 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.88 84.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ttm -64.6 -44.21 91.32 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.09 -41.02 97.77 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.35 -0.844 . . . . 0.0 112.071 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.77 -46.61 77.88 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 168.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.25 -36.13 81.07 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.168 1.787 . . . . 0.0 113.916 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -61.54 -45.15 95.39 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.821 1.191 . . . . 0.0 112.903 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.33 -36.44 53.88 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.709 -0.619 . . . . 0.0 112.384 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.94 -38.75 65.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.797 0.839 . . . . 0.0 111.608 166.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -57.8 -33.06 68.16 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -67.82 -37.51 82.04 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.992 -1.068 . . . . 0.0 112.465 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -70.2 -46.79 63.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.523 1.129 . . . . 0.0 111.581 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 22.38 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.975 2.51 . . . . 0.0 114.73 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -27.37 1.08 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.349 2.659 . . . . 0.0 115.265 170.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -69.79 127.19 92.7 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.406 1.082 . . . . 0.0 109.81 175.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.46 -26.41 62.72 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.782 2.321 . . . . 0.0 114.093 -162.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.02 -50.72 71.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.496 1.118 . . . . 0.0 112.712 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.14 63.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.687 1.195 . . . . 0.0 111.957 172.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.27 -33.23 65.27 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.212 0.915 . . . . 0.0 113.18 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -89.84 2.84 54.48 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.26 -50.17 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.053 1.341 . . . . 0.0 110.219 174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.6 OUTLIER -70.69 -19.9 62.73 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.703 1.138 . . . . 0.0 112.607 175.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.93 -34.56 77.73 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.314 0.961 . . . . 0.0 112.788 173.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -63.95 -44.48 92.69 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.131 -0.981 . . . . 0.0 112.036 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.632 HG13 ' CE3' ' A' ' 47' ' ' TRP . 73.8 mt -63.38 -47.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.076 172.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.83 -42.47 65.18 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.097 1.317 . . . . 0.0 113.11 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.61 -37.07 65.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.823 1.192 . . . . 0.0 113.443 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 27.7 m-20 -63.26 -42.35 99.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.659 1.184 . . . . 0.0 112.199 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.635 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 32.0 mm-40 -73.36 -37.3 66.11 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.422 -0.799 . . . . 0.0 110.134 -177.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.27 -37.65 78.18 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.968 -1.082 . . . . 0.0 111.583 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -61.29 -43.05 99.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.1 0.96 . . . . 0.0 112.135 172.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.662 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.7 m170 -62.15 -43.74 98.16 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 119.281 0.946 . . . . 0.0 111.501 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.02 -42.24 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.533 1.133 . . . . 0.0 111.753 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -54.61 -45.29 73.66 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.077 0.853 . . . . 0.0 112.102 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -76.24 -38.45 56.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.619 0.768 . . . . 0.0 112.307 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.85 -43.68 77.31 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.358 1.463 . . . . 0.0 112.361 173.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.61 -27.01 68.65 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -83.16 -26.57 30.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.721 0.809 . . . . 0.0 111.493 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.4 HD11 HG11 ' A' ' 33' ' ' VAL . 1.6 mp -86.57 -22.14 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 125.474 1.51 . . . . 0.0 112.268 172.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.98 150.44 48.65 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.396 1.478 . . . . 0.0 111.985 170.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.183 0 CA-C-O 118.278 -1.29 . . . . 0.0 113.107 176.326 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . 0.635 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . 0.619 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 86.39 135.64 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 129.438 3.095 . . . . 0.0 114.263 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.649 ' CD2' ' HG2' ' B' ' 24' ' ' LYS . 50.3 p90 -72.24 26.5 0.05 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.266 2.227 . . . . 0.0 113.932 177.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -130.41 -37.92 1.38 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.414 1.886 . . . . 0.0 112.689 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -62.48 -41.58 98.89 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.107 1.363 . . . . 0.0 111.35 170.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.97 -38.9 90.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.602 1.161 . . . . 0.0 112.326 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 81.9 mt -65.85 -52.37 50.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.837 0.855 . . . . 0.0 111.608 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.21 -41.23 49.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.148 2.179 . . . . 0.0 112.967 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -63.17 -58.23 7.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD13 ' CD1' ' B' ' 17' ' ' LEU . 4.9 mp -59.75 -34.18 72.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.79 -37.68 74.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.118 1.367 . . . . 0.0 113.191 167.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -87.45 -11.7 48.28 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -72.39 -34.66 68.07 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 120.72 -1.237 . . . . 0.0 110.755 174.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.23 91.97 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.235 167.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -60.92 -46.05 92.2 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.638 1.108 . . . . 0.0 113.441 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.93 -40.58 98.08 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.428 -0.795 . . . . 0.0 112.355 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' B' ' 10' ' ' LEU . 4.6 mt -61.25 -46.72 89.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.511 0.724 . . . . 0.0 112.304 171.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.01 -32.09 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.185 1.794 . . . . 0.0 113.308 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -61.91 -15.44 43.01 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.86 -40.82 3.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.15 1.38 . . . . 0.0 112.281 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -35.34 65.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.429 0.692 . . . . 0.0 112.121 168.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -61.08 -33.31 73.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.429 1.092 . . . . 0.0 113.466 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.97 -46.14 62.86 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.222 -0.924 . . . . 0.0 111.674 174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -65.32 -40.65 94.01 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.797 0.839 . . . . 0.0 112.548 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.54 30.74 0.61 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.247 1.819 . . . . 0.0 113.891 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -13.96 16.43 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.2 130.74 94.88 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.918 1.287 . . . . 0.0 110.743 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.68 -23.21 69.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.232 2.621 . . . . 0.0 114.462 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.98 -27.26 68.73 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.852 1.261 . . . . 0.0 113.749 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE3' ' OH ' ' B' ' 3' ' ' TYR . 30.1 ttpt -117.95 -29.64 5.59 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.272 1.829 . . . . 0.0 113.464 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -57.06 -26.8 60.97 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.542 1.137 . . . . 0.0 113.619 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m -99.43 6.25 46.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.762 1.225 . . . . 0.0 114.044 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.56 -45.39 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.911 1.285 . . . . 0.0 110.35 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.65 -22.01 65.33 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.598 1.09 . . . . 0.0 112.069 172.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.51 -31.3 72.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.813 0.845 . . . . 0.0 112.773 172.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.83 -38.54 64.49 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 112.241 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.06 -50.56 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.403 163.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.77 -39.99 65.87 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.334 1.425 . . . . 0.0 113.329 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.67 -40.07 80.3 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.15 -40.04 94.62 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.615 1.166 . . . . 0.0 112.083 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.96 -35.22 64.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.32 -38.59 80.66 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 111.827 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -66.48 -37.96 86.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.275 0.63 . . . . 0.0 112.612 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.41 -45.04 94.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.309 -0.87 . . . . 0.0 111.578 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.37 -38.82 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.162 0.985 . . . . 0.0 112.175 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.59 -47.96 75.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.85 1.204 . . . . 0.0 112.026 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -72.57 -42.02 65.06 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.054 -0.404 . . . . 0.0 111.812 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.95 -42.18 72.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.2 1.4 . . . . 0.0 112.009 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.82 -48.45 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.59 0.756 . . . . 0.0 112.632 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -56.29 -31.35 63.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.843 1.257 . . . . 0.0 113.227 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.8 mm -86.18 -15.6 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.787 1.635 . . . . 0.0 113.524 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -98.44 76.86 2.3 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.805 1.642 . . . . 0.0 111.783 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.232 0 C-N-CA 125.012 1.291 . . . . 0.0 112.839 177.846 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 49.32 56.51 7.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.863 1.665 . . . . 0.0 114.364 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.583 ' OH ' ' HE3' ' A' ' 30' ' ' LYS . 19.6 p90 -51.12 -8.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.808 2.443 . . . . 0.0 116.787 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.16 -21.86 13.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.868 2.467 . . . . 0.0 115.51 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -35.99 41.85 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.462 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.0 tp10 -52.98 -40.03 63.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.043 2.137 . . . . 0.0 112.79 168.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.53 -62.08 1.9 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.012 0.925 . . . . 0.0 110.892 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.27 -43.3 70.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.39 2.276 . . . . 0.0 112.571 -173.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.18 -49.09 75.66 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 17' ' ' LEU . 17.5 mt -68.7 -35.27 76.95 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.611 0.641 . . . . 0.0 112.132 176.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.11 -38.86 68.7 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.652 1.581 . . . . 0.0 112.422 165.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -85.51 -29.57 24.13 Favored 'General case' 0 C--N 1.344 0.369 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -65.67 -34.91 79.31 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.614 -0.679 . . . . 0.0 111.822 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.451 0.569 . . . . 0.0 110.197 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 26.4 mmm -62.88 -41.16 99.31 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -64.3 -40.42 95.91 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 10' ' ' LEU . 5.2 mt -58.46 -41.89 86.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.907 0.883 . . . . 0.0 112.228 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.45 -34.72 76.47 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.809 1.244 . . . . 0.0 112.593 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -59.79 -46.91 87.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.657 1.183 . . . . 0.0 112.2 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.16 -40.93 51.34 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -30.55 61.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.445 0.698 . . . . 0.0 112.064 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 t -67.32 -28.29 67.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.368 0.985 . . . . 0.0 113.566 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -74.65 -43.28 56.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.288 -1.508 . . . . 0.0 111.644 165.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.649 ' HG2' ' CD2' ' A' ' 3' ' ' TYR . 13.6 ttmm -68.14 -19.61 64.83 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.52 36.4 3.98 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.338 2.655 . . . . 0.0 111.617 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -52.35 -22.72 4.87 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -52.16 128.97 40.21 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.632 2.373 . . . . 0.0 111.798 171.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -65.89 -22.39 56.12 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.655 2.237 . . . . 0.0 113.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.68 75.76 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 112.481 173.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.33 -36.87 9.85 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 113.122 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -66.05 3.84 0.78 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.94 1.696 . . . . 0.0 115.063 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.3 m -124.86 13.35 8.52 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.916 1.687 . . . . 0.0 113.498 167.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -115.5 -49.69 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.695 1.598 . . . . 0.0 109.969 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -21.5 61.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.557 1.071 . . . . 0.0 112.299 174.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -61.1 -32.84 72.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.802 1.241 . . . . 0.0 112.301 172.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.26 -40.0 62.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.597 -0.689 . . . . 0.0 112.113 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.1 -52.87 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.186 169.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.296 0.6 OUTLIER -61.55 -30.67 70.8 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.058 1.299 . . . . 0.0 112.898 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.2 -40.86 70.92 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.039 -1.038 . . . . 0.0 113.268 172.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -61.67 -38.75 88.93 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.822 1.249 . . . . 0.0 112.287 171.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -75.09 -37.84 61.41 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.142 -0.974 . . . . 0.0 111.351 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.44 -36.83 69.44 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.321 -0.862 . . . . 0.0 111.455 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.819 0.848 . . . . 0.0 112.265 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -62.72 -38.07 89.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.116 0.966 . . . . 0.0 112.888 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.98 -42.35 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.098 0.959 . . . . 0.0 111.027 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -61.33 -42.05 98.03 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.641 -0.662 . . . . 0.0 112.221 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -70.32 -36.97 74.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.874 0.869 . . . . 0.0 111.921 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -47.64 84.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.06 1.344 . . . . 0.0 111.732 173.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.81 -42.37 97.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.198 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -35.73 75.94 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.73 -14.34 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.953 1.701 . . . . 0.0 112.89 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -121.81 30.49 6.65 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.158 1.783 . . . . 0.0 112.718 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 C-N-CA 125.303 1.43 . . . . 0.0 113.276 176.772 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.362 -0.828 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.59 130.19 8.85 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.674 1.589 . . . . 0.0 114.398 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.691 ' CD2' ' HD3' ' B' ' 24' ' ' LYS . 41.0 p90 -137.49 -6.45 1.75 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -173.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.24 -30.33 69.35 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -167.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -31.14 68.75 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.651 1.18 . . . . 0.0 111.071 176.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.69 -40.64 95.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.536 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 HD13 ' B' ' 17' ' ' LEU . 49.6 mt -65.23 -50.08 67.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.859 0.864 . . . . 0.0 111.76 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.42 -40.84 12.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.217 2.607 . . . . 0.0 113.475 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -67.26 -53.92 25.62 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.01 -36.16 76.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.742 0.817 . . . . 0.0 112.574 170.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.51 -38.54 77.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 0.0 112.93 170.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -85.44 -23.31 27.93 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -62.48 -31.22 71.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.599 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.79 -46.88 62.05 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 119.067 0.849 . . . . 0.0 110.506 171.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.3 mmm -54.59 -43.39 72.08 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.638 1.108 . . . . 0.0 112.704 174.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.81 -38.06 76.47 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.709 -0.62 . . . . 0.0 111.937 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 3.6 mt -62.95 -38.99 93.28 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.387 0.675 . . . . 0.0 112.002 169.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -64.76 -35.68 81.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.802 1.641 . . . . 0.0 112.803 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -62.37 -42.58 99.53 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.864 0.865 . . . . 0.0 112.845 171.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.91 -43.2 36.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.966 0.906 . . . . 0.0 112.84 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.74 67.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.135 0.974 . . . . 0.0 111.648 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -63.82 -34.48 78.0 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.29 0.95 . . . . 0.0 112.834 173.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.15 -43.71 73.74 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.202 -0.937 . . . . 0.0 111.385 170.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -65.76 -18.98 65.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.371 1.468 . . . . 0.0 114.504 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.02 36.91 4.51 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.137 2.175 . . . . 0.0 111.959 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -50.95 -21.42 1.74 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.06 130.71 92.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.267 1.827 . . . . 0.0 111.352 173.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -63.19 -23.61 72.78 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.911 2.407 . . . . 0.0 114.027 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.54 -24.27 55.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.966 2.106 . . . . 0.0 113.965 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -36.62 3.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 113.23 170.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.93 -16.44 29.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 m -107.53 9.89 29.41 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.499 1.12 . . . . 0.0 113.917 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -115.76 -46.54 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.489 1.516 . . . . 0.0 110.451 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -18.91 62.39 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.242 0.928 . . . . 0.0 111.44 171.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.07 -36.71 83.93 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.411 -0.806 . . . . 0.0 112.318 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -72.09 -31.83 66.44 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.081 -1.012 . . . . 0.0 112.234 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.8 -56.82 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 117.388 -1.292 . . . . 0.0 109.272 163.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.326 1.0 OUTLIER -60.99 -24.79 66.4 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 121.469 1.94 . . . . 0.0 113.35 -175.028 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.71 -36.73 42.97 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.646 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -62.19 -40.9 97.6 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.382 1.473 . . . . 0.0 111.907 165.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -82.9 -33.09 26.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.892 -166.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.53 -31.17 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.561 1.144 . . . . 0.0 112.622 163.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -38.47 89.13 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.916 0.78 . . . . 0.0 111.947 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.743 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 46.8 m170 -61.17 -37.83 84.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.657 1.183 . . . . 0.0 112.298 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.23 -37.72 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.87 0.868 . . . . 0.0 110.835 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.93 -42.86 94.86 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.658 1.117 . . . . 0.0 112.129 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ3' ' CG1' ' B' ' 37' ' ' ILE . 20.3 m0 -70.96 -45.04 64.82 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.366 0.666 . . . . 0.0 111.446 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.5 -40.88 68.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.193 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.97 -44.39 76.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.658 0.783 . . . . 0.0 112.833 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -20.41 66.24 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.7 mt -93.09 -18.4 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.251 1.82 . . . . 0.0 113.042 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -69.16 162.21 27.51 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.976 1.31 . . . . 0.0 112.028 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.173 0 C-N-CA 125.538 1.542 . . . . 0.0 112.865 -179.067 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttp . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -65.28 141.68 58.53 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.711 1.142 . . . . 0.0 111.476 166.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -147.29 -0.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.107 1.363 . . . . 0.0 113.925 169.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -94.46 -33.19 13.21 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -167.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -67.16 -28.99 68.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.913 0.885 . . . . 0.0 111.864 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.381 1.472 . . . . 0.0 112.494 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 96.1 mt -58.74 -56.05 27.22 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.825 1.25 . . . . 0.0 111.514 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -46.31 60.57 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.85 2.46 . . . . 0.0 112.506 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.62 -44.59 93.47 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -66.87 -38.33 86.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.89 0.768 . . . . 0.0 112.472 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -28.04 58.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.464 1.505 . . . . 0.0 113.123 167.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -95.64 -20.31 19.05 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.26 -34.46 77.48 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.837 -1.165 . . . . 0.0 112.227 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.2 98.69 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.643 0.656 . . . . 0.0 110.138 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -62.67 -42.09 99.43 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.865 0.866 . . . . 0.0 112.948 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.74 -40.24 91.93 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.709 -0.619 . . . . 0.0 112.385 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.759 HD13 HD23 ' A' ' 7' ' ' LEU . 1.2 mt -56.63 -44.87 81.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 168.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.43 -39.74 95.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.912 1.685 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -37.04 76.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.12 0.568 . . . . 0.0 111.843 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -83.3 -34.31 25.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.124 0.97 . . . . 0.0 113.248 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.78 67.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.625 0.77 . . . . 0.0 112.428 170.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -58.65 -32.31 68.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.8 -37.12 35.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.355 1.062 . . . . 0.0 112.249 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.691 ' HD3' ' CD2' ' A' ' 3' ' ' TYR . 63.5 mttm -60.94 -37.63 83.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.368 0.667 . . . . 0.0 112.461 169.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.32 -66.09 0.59 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.743 1.217 . . . . 0.0 111.901 170.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 43.31 25.71 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.864 2.066 . . . . 0.0 114.934 -170.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -133.32 137.81 30.04 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.394 1.878 . . . . 0.0 109.901 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.01 -24.6 45.2 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.891 2.394 . . . . 0.0 114.065 -170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -67.46 -52.07 43.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.642 0.656 . . . . 0.0 110.67 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -67.35 -42.69 83.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.321 1.049 . . . . 0.0 112.284 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -55.37 -33.38 63.37 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.15 10.04 35.43 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.94 -44.47 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.36 1.464 . . . . 0.0 111.078 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.97 66.27 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.922 1.237 . . . . 0.0 111.743 169.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.67 -35.4 70.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.081 1.31 . . . . 0.0 113.309 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.87 -42.46 63.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.714 0.806 . . . . 0.0 112.399 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.756 ' CG1' ' CZ3' ' A' ' 47' ' ' TRP . 67.7 mt -60.78 -44.28 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.233 1.013 . . . . 0.0 110.371 168.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.87 -39.86 90.8 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.52 1.055 . . . . 0.0 112.471 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.96 -37.92 79.1 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.312 0.96 . . . . 0.0 112.579 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.14 -39.98 95.18 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.685 1.194 . . . . 0.0 112.365 169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.743 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 12.5 mm-40 -71.33 -36.98 71.75 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.977 -1.077 . . . . 0.0 110.347 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.07 -41.24 87.49 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.078 -1.014 . . . . 0.0 111.834 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -59.96 -43.22 95.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.613 0.765 . . . . 0.0 111.623 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.646 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 55.6 m170 -63.4 -46.8 84.74 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.105 0.962 . . . . 0.0 112.208 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.28 -41.58 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 111.982 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -59.28 -44.5 92.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.23 0.923 . . . . 0.0 112.364 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -71.98 -36.38 69.78 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.621 0.768 . . . . 0.0 112.026 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -49.19 75.2 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.607 1.163 . . . . 0.0 111.558 170.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.66 -42.74 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -60.75 -34.23 74.12 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -77.44 -24.42 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.467 1.507 . . . . 0.0 112.878 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.98 62.71 2.17 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.39 1.876 . . . . 0.0 112.119 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.939 1.733 . . . . 0.0 112.918 177.493 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.759 ' OD2' ' HD2' ' B' ' 24' ' ' LYS . 4.9 m-20 -44.2 107.31 0.09 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.092 1.757 . . . . 0.0 114.372 -167.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 56.73 15.28 2.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.488 2.715 . . . . 0.0 117.465 173.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -53.88 -42.8 69.02 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -154.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.96 -35.89 80.98 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.09 0.956 . . . . 0.0 111.92 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.01 -36.58 81.97 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.158 1.783 . . . . 0.0 111.965 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.767 ' CD2' HD22 ' B' ' 17' ' ' LEU . 30.0 mt -73.33 -51.78 16.23 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.41 1.084 . . . . 0.0 111.489 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -41.5 67.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.622 2.369 . . . . 0.0 113.271 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.42 -49.73 68.1 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.538 HD22 HD23 ' B' ' 10' ' ' LEU . 45.8 mt -61.28 -39.57 90.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.629 0.772 . . . . 0.0 111.859 171.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.85 -36.18 67.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.223 1.409 . . . . 0.0 113.18 170.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.75 -22.78 22.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.45 -34.75 78.91 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.356 -0.84 . . . . 0.0 112.072 171.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.52 -39.99 80.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.889 0.768 . . . . 0.0 110.629 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmt -62.59 -39.7 94.56 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.455 1.025 . . . . 0.0 113.471 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -68.78 -38.74 80.24 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.479 -0.763 . . . . 0.0 111.922 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.53 -42.1 95.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.891 0.876 . . . . 0.0 112.434 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.548 1.539 . . . . 0.0 113.829 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtt85 -60.15 -40.32 89.45 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.915 1.234 . . . . 0.0 113.29 170.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -79.82 -42.62 23.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.742 0.817 . . . . 0.0 112.098 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.79 66.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.34 0.656 . . . . 0.0 112.272 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 t -64.96 -34.21 77.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 0.0 113.113 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.22 -40.54 82.04 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.302 -0.874 . . . . 0.0 111.637 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.69 -46.03 70.08 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.135 1.374 . . . . 0.0 112.403 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.08 29.67 0.17 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.312 2.245 . . . . 0.0 114.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -11.63 19.07 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.24 127.17 90.66 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.569 1.548 . . . . 0.0 110.41 169.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.6 -30.96 70.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.763 2.309 . . . . 0.0 113.873 -164.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.66 -47.44 76.67 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.331 1.052 . . . . 0.0 112.632 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -83.01 -36.14 25.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.696 1.599 . . . . 0.0 112.596 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -54.06 -27.67 33.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.578 1.151 . . . . 0.0 114.025 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -98.75 6.76 46.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.362 1.465 . . . . 0.0 114.704 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.47 -46.52 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.337 1.455 . . . . 0.0 110.79 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -20.19 66.0 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.1 1.318 . . . . 0.0 112.259 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -62.98 -35.93 81.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.101 1.361 . . . . 0.0 113.332 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -73.41 -35.1 65.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.42 -0.8 . . . . 0.0 112.132 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.81 -50.25 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.413 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.88 -40.5 60.72 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.335 1.425 . . . . 0.0 113.224 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.78 -38.48 67.26 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.45 -41.01 98.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.565 1.146 . . . . 0.0 112.044 171.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -72.78 -35.03 67.31 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.719 -0.613 . . . . 0.0 110.31 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.75 -40.09 78.89 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.191 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -64.9 -40.39 95.01 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.687 -0.633 . . . . 0.0 112.231 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.657 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 44.7 m170 -61.99 -43.54 98.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.179 0.9 . . . . 0.0 111.59 172.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.61 -38.95 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 124.498 1.119 . . . . 0.0 111.522 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.76 -48.69 77.27 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.544 1.065 . . . . 0.0 111.874 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.975 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 28.7 m0 -70.45 -40.03 73.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.337 0.655 . . . . 0.0 111.093 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -50.22 69.25 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.216 1.407 . . . . 0.0 112.014 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.54 -37.5 87.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.185 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -64.73 -30.78 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HE3' ' B' ' 30' ' ' LYS . 51.8 mt -77.65 -24.75 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.069 1.747 . . . . 0.0 112.626 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -65.14 164.3 13.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.326 1.051 . . . . 0.0 112.466 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.394 0 C-N-CA 125.776 1.655 . . . . 0.0 112.745 -178.542 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 mmt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -153.18 55.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.574 1.149 . . . . 0.0 111.429 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -137.11 21.18 3.0 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -165.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.46 -49.49 3.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.724 -1.235 . . . . 0.0 112.257 -172.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -61.15 -33.04 72.77 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.507 1.049 . . . . 0.0 112.733 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.13 -52.0 62.48 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.807 1.243 . . . . 0.0 111.542 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.79 -55.4 23.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.687 1.595 . . . . 0.0 112.619 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -41.9 51.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.785 2.034 . . . . 0.0 112.229 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -63.08 -52.13 63.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.538 HD23 HD22 ' A' ' 10' ' ' LEU . 16.2 mt -65.05 -35.17 80.31 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.272 0.942 . . . . 0.0 112.617 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.22 -42.13 72.96 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.541 1.536 . . . . 0.0 112.073 166.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -84.71 -23.62 29.26 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.63 -35.39 78.83 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.292 -0.88 . . . . 0.0 111.627 172.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.43 85.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.589 0.631 . . . . 0.0 110.185 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp -59.93 -41.36 91.64 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.712 0.805 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -66.33 -41.69 89.25 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.62 0.768 . . . . 0.0 111.24 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.767 HD22 ' CD2' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.65 -47.66 83.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.863 0.465 . . . . 0.0 112.136 168.751 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.39 -40.54 94.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.907 1.683 . . . . 0.0 113.246 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -64.6 -44.31 90.99 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.141 0.882 . . . . 0.0 112.563 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -76.19 -38.1 56.98 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.123 0.569 . . . . 0.0 111.834 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.13 -42.33 72.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.56 0.744 . . . . 0.0 111.362 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -64.26 -26.25 68.41 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.98 -46.46 57.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.836 -1.165 . . . . 0.0 111.898 173.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.759 ' HD2' ' OD2' ' A' ' 2' ' ' ASP . 5.9 tmtm? -72.56 -46.67 53.29 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.259 1.024 . . . . 0.0 112.214 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.22 36.82 0.3 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.029 2.131 . . . . 0.0 112.608 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -12.2 8.73 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -173.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -64.4 133.7 95.75 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.424 1.49 . . . . 0.0 110.817 171.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -68.03 -17.29 45.99 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.389 2.726 . . . . 0.0 114.668 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.72 -20.59 66.0 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.864 0.84 . . . . 0.0 112.284 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HE3' HD13 ' A' ' 51' ' ' ILE . 9.1 tptm -116.57 -45.97 2.78 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.948 2.099 . . . . 0.0 112.793 175.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -51.73 -39.77 59.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -87.96 7.02 33.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.73 -49.63 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.261 1.424 . . . . 0.0 110.285 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -70.43 -18.14 63.01 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.416 1.007 . . . . 0.0 112.449 174.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.54 -35.65 80.1 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.209 -0.932 . . . . 0.0 113.206 173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.31 -40.92 94.37 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.051 -1.031 . . . . 0.0 112.143 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.975 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 65.3 mt -62.85 -47.92 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.5 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.02 -44.36 60.99 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.395 1.452 . . . . 0.0 112.923 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.46 -38.12 71.29 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -65.9 -37.55 86.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.681 1.192 . . . . 0.0 112.586 174.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.657 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 54.6 mm-40 -74.93 -35.95 62.17 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.264 -0.897 . . . . 0.0 110.709 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.14 -37.64 75.03 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.378 -0.826 . . . . 0.0 111.723 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -62.5 -40.64 97.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.936 0.894 . . . . 0.0 112.381 173.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -65.47 -46.65 78.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 119.359 0.981 . . . . 0.0 111.919 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -38.97 63.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.617 1.167 . . . . 0.0 112.098 173.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -59.19 -43.97 92.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.88 1.218 . . . . 0.0 112.946 172.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -73.15 -39.89 65.32 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.754 0.822 . . . . 0.0 111.692 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.02 -38.79 71.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.67 1.588 . . . . 0.0 112.057 171.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.54 -44.08 75.29 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.12 0.568 . . . . 0.0 112.103 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -27.37 68.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 31.1 mm -89.39 -16.05 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.972 1.709 . . . . 0.0 113.319 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -67.2 148.68 51.47 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.94 0.896 . . . . 0.0 112.538 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.519 1.533 . . . . 0.0 114.27 -179.807 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 ttp . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -57.61 147.91 25.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.606 1.162 . . . . 0.0 113.453 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -151.54 30.61 0.59 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -169.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -125.09 -52.46 1.65 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -29.45 70.8 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.173 0.897 . . . . 0.0 112.925 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.7 -54.61 45.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.76 1.224 . . . . 0.0 111.486 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' B' ' 18' ' ' TYR . 10.3 mp -63.38 -45.47 90.98 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 125.057 1.343 . . . . 0.0 112.364 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -42.14 67.96 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.122 1.769 . . . . 0.0 112.19 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -64.01 -52.23 60.52 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.6 -31.46 72.51 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.708 0.685 . . . . 0.0 112.831 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.74 -38.29 75.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.896 1.679 . . . . 0.0 111.744 166.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.99 -23.27 23.87 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -66.84 -34.5 77.94 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.108 -0.995 . . . . 0.0 112.044 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.63 -40.94 84.6 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 118.713 0.688 . . . . 0.0 110.566 170.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.49 -42.31 99.4 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.247 0.93 . . . . 0.0 113.001 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.35 -44.97 92.61 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.454 1.024 . . . . 0.0 111.512 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.14 -48.77 79.22 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.929 . . . . 0.0 111.991 172.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CE1' HD23 ' B' ' 7' ' ' LEU . 6.4 m-85 -57.62 -42.03 82.48 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 173.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.01 -26.14 67.4 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.272 0.942 . . . . 0.0 113.131 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.12 -40.57 10.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.28 1.032 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -31.69 62.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.468 0.707 . . . . 0.0 111.925 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.2 t -55.29 -34.32 64.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 113.458 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -38.57 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.07 -1.019 . . . . 0.0 112.746 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -84.73 -33.56 23.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.987 1.315 . . . . 0.0 113.546 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.38 6.95 10.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.421 1.888 . . . . 0.0 114.62 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -55.38 -13.84 1.61 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -171.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.13 135.98 93.9 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.953 1.701 . . . . 0.0 110.407 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.68 -28.31 86.31 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.111 2.541 . . . . 0.0 114.208 -166.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.59 -29.72 66.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.133 1.773 . . . . 0.0 114.567 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.88 -40.34 5.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.231 1.812 . . . . 0.0 112.093 173.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 14.4 tmtt? -57.13 -26.47 60.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.924 1.69 . . . . 0.0 114.522 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -99.24 2.46 45.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.68 -46.81 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.564 1.546 . . . . 0.0 110.382 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -65.98 -24.61 66.82 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.634 1.106 . . . . 0.0 111.846 173.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.6 -33.46 71.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.514 1.125 . . . . 0.0 113.043 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -75.84 -41.86 51.24 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.519 -0.738 . . . . 0.0 112.213 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.41 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 4.5 mt -60.63 -46.22 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.183 166.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 18' ' ' TYR . 24.7 mt -54.9 -43.02 72.89 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.018 1.281 . . . . 0.0 112.066 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.82 -38.18 73.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -62.91 -41.01 99.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.259 1.023 . . . . 0.0 112.143 171.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.63 -36.1 70.62 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 110.405 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.69 -40.73 88.87 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.097 -1.002 . . . . 0.0 112.134 169.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -62.57 -40.36 96.6 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.708 -0.62 . . . . 0.0 112.019 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -62.01 -44.48 96.63 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 123.834 0.854 . . . . 0.0 111.498 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.27 -39.2 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.243 1.017 . . . . 0.0 112.142 175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -60.68 -42.53 97.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.98 1.264 . . . . 0.0 112.708 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.87 -40.75 63.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 111.632 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -55.82 -38.77 70.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.756 1.622 . . . . 0.0 112.287 172.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.5 -43.32 90.5 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.427 0.691 . . . . 0.0 112.435 172.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -26.1 67.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.9 mt -80.39 -27.92 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.959 1.704 . . . . 0.0 113.092 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -67.82 158.06 33.38 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.943 1.297 . . . . 0.0 112.563 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.378 1.466 . . . . 0.0 112.862 -179.62 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -134.7 157.43 46.7 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.091 1.356 . . . . 0.0 111.437 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -146.25 24.22 1.29 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.524 1.13 . . . . 0.0 113.678 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -112.65 -48.24 3.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -62.63 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.993 1.27 . . . . 0.0 113.28 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.65 -48.78 79.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.578 1.151 . . . . 0.0 111.175 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.414 HD23 ' CE1' ' A' ' 18' ' ' TYR . 10.8 mp -71.3 10.27 0.63 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.707 2.803 . . . . 0.0 114.884 173.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.36 -46.02 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.445 1.498 . . . . 0.0 110.479 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -48.12 72.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.96 -37.75 88.56 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.698 0.799 . . . . 0.0 111.732 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.06 -34.68 68.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.284 1.434 . . . . 0.0 112.81 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -87.15 -32.75 19.69 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -61.76 -36.57 81.43 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.881 1.272 . . . . 0.0 111.609 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.91 81.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 123.41 0.684 . . . . 0.0 110.2 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -40.37 89.97 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.031 0.932 . . . . 0.0 112.096 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.4 -44.77 90.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.29 1.036 . . . . 0.0 111.383 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.19 -37.68 88.19 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.467 ' CE1' HD23 ' A' ' 7' ' ' LEU . 3.7 m-85 -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.736 1.614 . . . . 0.0 113.156 173.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -63.89 -41.59 97.67 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.209 0.913 . . . . 0.0 112.655 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.03 -38.32 44.91 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 0.0 112.169 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.43 69.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.639 0.775 . . . . 0.0 112.126 171.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -61.5 -32.88 72.92 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.381 0.991 . . . . 0.0 113.149 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.38 -40.4 73.98 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.088 -1.008 . . . . 0.0 112.182 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.4 -46.49 83.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.457 0.703 . . . . 0.0 111.997 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.73 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.645 2.378 . . . . 0.0 114.051 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -55.51 -21.95 19.06 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -61.69 119.46 47.68 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.619 1.568 . . . . 0.0 111.06 168.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -63.12 -18.97 67.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.245 2.63 . . . . 0.0 114.227 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.55 -33.15 69.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.057 0.943 . . . . 0.0 113.178 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.02 -38.12 9.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.844 2.058 . . . . 0.0 112.566 170.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.57 -2.65 2.5 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.2 p -118.01 9.52 12.79 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.11 -48.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.615 1.566 . . . . 0.0 110.448 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 -21.32 63.15 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.72 1.146 . . . . 0.0 112.038 171.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -65.86 -34.97 79.37 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.268 -0.895 . . . . 0.0 112.17 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -68.21 -37.44 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.49 0.716 . . . . 0.0 112.316 176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.62 -47.84 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.651 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.307 0.1 OUTLIER -57.97 -40.78 81.45 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.833 1.197 . . . . 0.0 111.937 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -67.96 -37.9 82.12 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.052 -1.03 . . . . 0.0 113.764 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -63.77 -38.0 89.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.067 0.947 . . . . 0.0 112.323 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -72.95 -39.87 65.83 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.355 -0.841 . . . . 0.0 110.981 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.63 -35.17 68.03 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.585 -0.697 . . . . 0.0 112.079 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -66.42 -41.35 89.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.916 0.886 . . . . 0.0 112.904 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -62.72 -41.36 99.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.476 1.11 . . . . 0.0 112.619 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.42 -39.19 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.697 1.199 . . . . 0.0 112.006 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.54 -36.57 83.0 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.746 0.818 . . . . 0.0 112.983 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.41 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 31.9 m0 -77.44 -37.29 51.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.421 1.088 . . . . 0.0 112.045 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -47.9 65.75 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 111.941 170.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.02 -27.42 63.53 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 173.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 98.9 m -83.58 -27.89 28.93 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.788 1.235 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.24 -27.82 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.371 1.468 . . . . 0.0 112.885 168.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -69.59 162.61 27.26 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.974 1.31 . . . . 0.0 112.367 171.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 125.39 1.472 . . . . 0.0 112.919 179.338 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.02 -23.05 64.04 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 42.28 53.49 4.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.577 1.951 . . . . 0.0 114.917 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.62 -47.15 0.33 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -67.74 -41.53 83.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 121.142 1.792 . . . . 0.0 111.372 168.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -43.52 94.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.895 1.278 . . . . 0.0 112.379 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.38 -4.13 34.58 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.401 1.881 . . . . 0.0 114.559 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.77 -42.0 3.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.358 1.863 . . . . 0.0 109.801 -173.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -67.05 -47.95 69.79 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.13 -34.04 76.73 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.767 0.712 . . . . 0.0 112.168 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -42.9 82.79 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.259 1.424 . . . . 0.0 112.422 166.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -81.42 -24.24 37.03 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.65 -32.04 73.1 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.238 -0.914 . . . . 0.0 111.932 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.88 66.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.093 0.861 . . . . 0.0 110.655 168.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mtp -55.42 -42.51 74.24 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.552 1.069 . . . . 0.0 113.626 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -77.64 -30.29 52.13 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.667 ' CD1' HD12 ' B' ' 10' ' ' LEU . 5.8 mt -59.41 -47.57 84.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.242 -0.409 . . . . 0.0 110.541 163.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -58.07 -37.8 75.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.583 1.553 . . . . 0.0 114.099 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -27.43 68.36 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.933 1.693 . . . . 0.0 113.875 176.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -105.85 -33.22 8.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.421 1.488 . . . . 0.0 112.885 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -33.35 35.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.324 1.05 . . . . 0.0 111.533 165.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 t -58.22 -28.14 64.58 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -72.71 -40.56 66.06 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.871 1.214 . . . . 0.0 111.97 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.85 -32.4 69.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.794 1.238 . . . . 0.0 112.672 172.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.09 28.4 1.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.45 2.3 . . . . 0.0 113.138 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -52.39 -24.84 8.42 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.25 123.1 81.41 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.121 1.368 . . . . 0.0 109.648 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.25 -21.39 72.5 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 122.724 2.283 . . . . 0.0 113.806 -171.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.55 -32.99 67.66 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.401 1.081 . . . . 0.0 113.184 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -39.86 7.77 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.931 2.093 . . . . 0.0 112.263 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -56.94 -28.61 62.32 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -97.19 8.21 45.01 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.69 -46.91 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.088 1.355 . . . . 0.0 110.689 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -15.85 63.59 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.726 1.148 . . . . 0.0 112.478 173.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -64.07 -33.48 75.85 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.277 -0.89 . . . . 0.0 113.37 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.76 -39.99 80.0 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.55 -0.719 . . . . 0.0 111.991 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' B' ' 44' ' ' HIS . 67.5 mt -62.75 -48.65 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.579 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.13 -45.31 64.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.653 1.115 . . . . 0.0 112.606 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.97 -40.28 72.03 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -60.48 -40.0 89.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.636 1.175 . . . . 0.0 112.183 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.92 -39.78 66.0 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.423 -0.798 . . . . 0.0 111.02 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.96 -34.27 71.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.369 -0.832 . . . . 0.0 111.993 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -61.84 -47.45 85.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.198 0.999 . . . . 0.0 111.991 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.434 ' CD2' HG12 ' B' ' 37' ' ' ILE . 50.8 m170 -62.91 -40.9 98.99 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.454 1.102 . . . . 0.0 112.187 177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.6 -40.37 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 112.01 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.61 -41.8 99.2 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.135 -0.978 . . . . 0.0 112.761 172.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.69 -37.26 76.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.795 0.838 . . . . 0.0 111.841 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -49.27 74.44 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.371 1.468 . . . . 0.0 111.698 170.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -40.58 83.37 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.424 0.69 . . . . 0.0 112.572 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -62.23 -19.96 63.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.055 0.942 . . . . 0.0 113.498 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mm -100.25 -10.68 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.036 1.735 . . . . 0.0 113.277 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -67.95 151.7 46.7 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 121.238 -0.914 . . . . 0.0 111.252 168.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.025 1.298 . . . . 0.0 113.273 -176.331 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -175.95 -47.08 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.343 1.857 . . . . 0.0 111.318 164.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -154.32 52.16 0.66 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.775 1.23 . . . . 0.0 112.843 -172.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.451 ' CD2' ' H ' ' B' ' 53' ' ' GLY . 0.1 OUTLIER -133.72 -54.37 0.88 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.562 1.545 . . . . 0.0 109.775 -176.041 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -56.5 -43.5 79.77 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.36 1.064 . . . . 0.0 112.041 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.99 -39.41 85.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.837 1.255 . . . . 0.0 112.17 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.06 -57.34 6.28 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.314 1.046 . . . . 0.0 110.431 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -41.98 72.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.881 2.473 . . . . 0.0 112.597 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -66.55 -45.7 78.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 17' ' ' LEU . 19.9 mt -69.76 -35.15 74.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.86 0.755 . . . . 0.0 112.335 174.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.29 -40.53 67.96 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.834 1.253 . . . . 0.0 112.537 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -86.83 -18.25 31.44 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.06 -36.42 77.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.572 1.078 . . . . 0.0 111.987 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.28 91.45 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 167.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.64 -40.79 96.12 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -61.07 -44.74 96.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 111.534 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.76 -51.98 65.51 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.594 0.757 . . . . 0.0 111.353 171.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -59.17 -38.35 79.56 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.695 1.998 . . . . 0.0 113.619 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -68.13 -38.94 82.77 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.605 1.093 . . . . 0.0 112.935 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -83.55 -38.99 20.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.625 0.77 . . . . 0.0 112.833 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.1 -39.41 63.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.556 0.742 . . . . 0.0 111.352 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -58.15 -35.57 71.73 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.68 -46.61 65.69 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.833 -1.167 . . . . 0.0 111.756 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -67.52 -39.86 85.08 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.714 -0.616 . . . . 0.0 112.11 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.37 42.95 1.1 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.531 1.932 . . . . 0.0 112.41 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -18.36 20.98 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 130.44 93.65 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 126.449 1.9 . . . . 0.0 111.64 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.48 -25.12 41.7 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.837 2.358 . . . . 0.0 114.601 -167.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.37 -47.31 72.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.442 1.097 . . . . 0.0 112.774 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -80.68 -39.58 26.95 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.358 1.463 . . . . 0.0 112.034 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -60.7 -16.85 43.86 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.6 m -106.65 10.44 31.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.313 1.445 . . . . 0.0 114.102 171.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.92 -36.14 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.787 1.635 . . . . 0.0 111.556 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 -19.74 34.96 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.552 1.069 . . . . 0.0 112.868 169.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.25 -32.25 58.76 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.962 -1.086 . . . . 0.0 113.186 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -67.28 -28.69 68.23 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.263 -0.898 . . . . 0.0 113.365 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.434 HG12 ' CD2' ' A' ' 44' ' ' HIS . 71.2 mt -67.35 -56.56 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 116.918 -1.515 . . . . 0.0 108.207 161.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 37.2 mt -48.2 -38.71 18.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.684 2.038 . . . . 0.0 114.648 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.73 -30.65 65.86 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.17 -35.2 61.6 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.876 1.67 . . . . 0.0 111.9 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -84.16 -36.47 22.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.798 1.639 . . . . 0.0 109.922 -165.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.67 -32.64 72.84 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.286 1.435 . . . . 0.0 112.194 165.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.49 89.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.986 0.914 . . . . 0.0 112.249 176.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 37' ' ' ILE . 47.8 m170 -64.69 -42.02 95.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 112.301 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.21 -38.69 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.836 0.854 . . . . 0.0 110.863 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -56.31 -46.15 79.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.964 0.802 . . . . 0.0 112.543 170.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -73.15 -39.72 65.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.5 0.72 . . . . 0.0 112.031 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.07 -43.05 77.57 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.876 1.671 . . . . 0.0 112.375 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.58 -30.69 70.36 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -74.09 -28.53 61.41 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.098 0.959 . . . . 0.0 111.946 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -92.87 -12.15 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 126.216 1.807 . . . . 0.0 113.09 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -48.29 124.6 8.12 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.177 1.791 . . . . 0.0 113.694 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.451 ' H ' ' CD2' ' B' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 126.152 1.834 . . . . 0.0 112.805 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 ptp . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -79.22 177.9 8.48 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 122.583 1.182 . . . . 0.0 113.661 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -98.78 36.8 1.6 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.144 2.578 . . . . 0.0 112.813 -163.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -133.29 -56.05 0.91 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -62.36 -32.08 72.82 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.687 1.585 . . . . 0.0 111.974 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -40.95 77.55 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.708 1.203 . . . . 0.0 112.588 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' B' ' 18' ' ' TYR . 27.6 mt -73.47 -48.14 35.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.744 0.818 . . . . 0.0 111.063 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.79 -36.78 17.4 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.232 2.613 . . . . 0.0 112.721 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -68.09 -56.37 9.11 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.32 -34.95 74.54 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.144 0.883 . . . . 0.0 112.965 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.8 -44.66 82.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.251 1.421 . . . . 0.0 111.784 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -79.32 -24.71 42.63 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -65.16 -37.74 88.36 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.639 -0.663 . . . . 0.0 111.712 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.66 84.63 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.446 0.567 . . . . 0.0 109.677 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -58.04 -41.63 83.66 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.237 0.926 . . . . 0.0 113.078 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -74.68 -32.91 62.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.642 1.11 . . . . 0.0 113.237 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' HB3' ' CD2' ' B' ' 7' ' ' LEU . 5.9 mt -57.66 -41.77 82.18 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.24 -32.68 74.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.998 1.719 . . . . 0.0 114.124 175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.69 -47.67 82.61 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.943 1.247 . . . . 0.0 112.543 169.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.64 -39.12 62.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.017 0.927 . . . . 0.0 112.111 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.07 71.56 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.401 168.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -61.74 -33.32 73.85 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.747 1.158 . . . . 0.0 112.518 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.35 -43.51 70.05 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.193 -0.942 . . . . 0.0 112.347 174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -45.55 94.22 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.945 0.898 . . . . 0.0 112.135 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.33 24.32 1.94 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.216 2.207 . . . . 0.0 114.082 -175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -21.74 1.91 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -58.55 131.14 85.29 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 124.699 1.2 . . . . 0.0 111.409 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -64.07 -21.96 67.94 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.13 2.553 . . . . 0.0 114.343 -171.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.98 -31.01 70.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.259 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -111.96 -33.27 6.33 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.084 1.754 . . . . 0.0 113.462 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -24.31 43.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.733 1.213 . . . . 0.0 113.684 168.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t -101.87 12.99 36.08 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.949 1.7 . . . . 0.0 113.801 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.53 -46.11 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.118 1.367 . . . . 0.0 110.762 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -16.11 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.75 1.159 . . . . 0.0 112.227 170.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -40.29 83.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.852 1.261 . . . . 0.0 113.181 176.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -71.24 -34.35 70.69 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' CG1' ' CE3' ' B' ' 47' ' ' TRP . 68.8 mt -64.64 -49.06 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.18 0.592 . . . . 0.0 109.558 168.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.88 -45.25 64.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.298 0.953 . . . . 0.0 112.591 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.02 -39.55 79.19 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.541 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 35.9 m-20 -62.09 -39.31 92.03 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.125 0.97 . . . . 0.0 112.361 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE2' ' CE1' ' B' ' 44' ' ' HIS . 54.5 mm-40 -73.4 -38.44 65.62 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.254 -0.904 . . . . 0.0 111.091 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.01 -35.67 69.52 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.517 -0.74 . . . . 0.0 111.944 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -66.86 -42.86 84.98 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.539 0.735 . . . . 0.0 112.612 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 54.5 m170 -60.48 -42.52 96.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.154 0.982 . . . . 0.0 112.266 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.08 -37.48 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.696 1.199 . . . . 0.0 112.441 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.07 -40.56 90.96 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.027 -1.045 . . . . 0.0 112.779 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -72.22 -37.19 69.26 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.05 0.94 . . . . 0.0 111.564 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -48.75 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.791 1.637 . . . . 0.0 112.063 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.43 -39.06 85.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.733 0.778 . . . . 0.0 112.935 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -60.94 -30.55 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.889 1.276 . . . . 0.0 112.923 173.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -80.25 -20.37 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.679 1.992 . . . . 0.0 112.936 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.44 165.2 23.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.845 1.658 . . . . 0.0 112.515 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.286 1.422 . . . . 0.0 112.814 -179.447 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -151.01 130.85 13.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.296 1.438 . . . . 0.0 110.116 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -155.99 34.51 0.34 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.594 1.158 . . . . 0.0 112.92 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.51 -21.31 1.03 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 119.078 2.992 . . . . 0.0 119.078 -169.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -83.64 -35.3 24.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -49.9 -41.53 46.11 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.868 2.067 . . . . 0.0 112.86 165.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.675 ' CD2' ' HB3' ' A' ' 17' ' ' LEU . 67.2 mt -81.42 0.96 35.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.553 1.541 . . . . 0.0 114.907 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.5 -44.23 2.47 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.064 1.345 . . . . 0.0 110.694 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.83 -51.83 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.62 -34.48 77.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.712 0.687 . . . . 0.0 112.472 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -40.23 82.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.085 1.354 . . . . 0.0 112.456 166.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.21 -27.03 35.48 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 120.545 -1.347 . . . . 0.0 114.219 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -65.1 -36.29 83.84 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.77 0.714 . . . . 0.0 111.755 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.98 84.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.573 0.624 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtp -59.7 -40.37 87.68 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.826 0.739 . . . . 0.0 112.788 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -38.28 83.34 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.315 0.646 . . . . 0.0 111.576 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.57 -42.45 96.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.493 0.717 . . . . 0.0 112.125 167.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.461 ' CE1' HD13 ' A' ' 7' ' ' LEU . 3.6 m-85 -62.34 -34.0 75.8 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 113.815 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -57.77 -45.25 86.23 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.179 0.9 . . . . 0.0 112.541 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.03 -36.8 27.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.944 0.898 . . . . 0.0 112.56 -175.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.07 60.32 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.86 0.864 . . . . 0.0 111.964 168.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -60.42 -25.06 65.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 171.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.85 -36.37 62.34 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.515 1.507 . . . . 0.0 113.039 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.11 -37.75 75.43 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.269 0.628 . . . . 0.0 112.321 168.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.66 28.02 1.4 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.818 2.047 . . . . 0.0 113.692 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -51.01 -28.85 10.96 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.122 1.769 . . . . 0.0 114.702 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -70.41 132.29 87.79 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.689 1.596 . . . . 0.0 111.188 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.44 -21.15 71.08 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.658 2.905 . . . . 0.0 114.747 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.51 -28.58 68.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.043 1.337 . . . . 0.0 113.171 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -108.09 -35.48 6.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.831 1.652 . . . . 0.0 113.292 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -53.87 -37.08 63.33 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.842 1.201 . . . . 0.0 113.065 175.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -91.4 8.64 35.26 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.94 -46.72 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.039 1.336 . . . . 0.0 110.454 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.263 0.5 OUTLIER -68.23 -26.99 65.97 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.73 1.15 . . . . 0.0 111.382 172.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -56.29 -35.11 67.13 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.229 1.377 . . . . 0.0 112.476 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.26 -38.04 84.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.597 0.635 . . . . 0.0 112.097 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.51 -50.61 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 117.394 -1.288 . . . . 0.0 109.553 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mp -53.34 -40.19 64.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 121.377 1.899 . . . . 0.0 113.026 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.41 -39.89 74.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.905 0.775 . . . . 0.0 112.906 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.523 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 37.8 m-20 -63.12 -41.15 99.28 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.877 1.271 . . . . 0.0 112.217 169.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -71.61 -37.48 70.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.369 -0.832 . . . . 0.0 110.349 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.53 -36.36 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.147 -0.97 . . . . 0.0 112.088 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -64.73 -39.82 94.28 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.63 -0.669 . . . . 0.0 112.247 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.541 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 51.9 m170 -62.29 -48.16 81.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.309 0.959 . . . . 0.0 111.12 173.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.95 -40.51 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.656 1.182 . . . . 0.0 111.554 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -55.82 -48.3 75.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.881 1.219 . . . . 0.0 111.926 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.542 ' CE3' ' CG1' ' A' ' 37' ' ' ILE . 26.3 m0 -72.54 -38.79 67.91 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 123.346 0.658 . . . . 0.0 112.055 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.56 -46.55 89.44 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.124 1.77 . . . . 0.0 112.249 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.72 -36.9 83.58 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.927 0.491 . . . . 0.0 110.814 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 42.9 m -62.83 -33.7 75.78 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.84 -24.58 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.667 1.587 . . . . 0.0 113.442 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -66.46 143.67 56.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.443 1.097 . . . . 0.0 111.887 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.063 1.316 . . . . 0.0 113.084 -179.734 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 110.676 -0.12 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -154.9 -44.99 0.08 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -110.84 -1.96 16.31 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.334 1.453 . . . . 0.0 113.994 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -43.98 95.67 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.685 1.194 . . . . 0.0 111.797 -172.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -64.76 -31.05 72.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.86 -44.42 69.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.359 0.664 . . . . 0.0 110.917 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.262 0.2 OUTLIER -64.94 -43.07 93.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.84 0.856 . . . . 0.0 112.461 178.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.02 -41.33 71.18 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.3 2.24 . . . . 0.0 112.553 176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.08 -54.01 49.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.09 72.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 175.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -41.18 85.72 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.898 1.279 . . . . 0.0 113.409 163.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.31 -23.42 28.11 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.71 -37.26 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.344 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.35 90.12 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.33 0.968 . . . . 0.0 111.058 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtp -66.04 -42.55 89.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.206 0.603 . . . . 0.0 112.424 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -65.83 -40.14 91.51 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.754 -0.591 . . . . 0.0 111.069 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -42.48 98.79 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.224 1.009 . . . . 0.0 112.422 168.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -63.3 -32.4 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.01 94.43 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.235 1.014 . . . . 0.0 111.464 173.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -76.72 -40.44 48.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.704 0.802 . . . . 0.0 112.493 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.11 66.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.541 0.736 . . . . 0.0 111.84 171.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -60.23 -31.79 70.51 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.341 1.056 . . . . 0.0 113.393 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -77.31 -43.02 34.6 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.232 -0.918 . . . . 0.0 111.751 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -60.24 -30.65 69.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.213 1.005 . . . . 0.0 112.757 172.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.62 37.15 2.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.097 2.159 . . . . 0.0 113.051 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -25.56 0.65 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.863 2.065 . . . . 0.0 116.452 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.41 127.78 91.66 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.365 1.466 . . . . 0.0 111.421 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.4 -20.91 61.32 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.214 2.609 . . . . 0.0 114.377 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.14 -34.41 68.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.764 1.226 . . . . 0.0 112.883 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -92.45 -48.29 6.72 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.925 1.69 . . . . 0.0 111.994 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -52.24 -27.89 16.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 114.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -99.4 5.36 46.37 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.141 1.377 . . . . 0.0 114.35 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.503 HG11 HD11 ' B' ' 51' ' ' ILE . 52.9 t -116.12 -43.38 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.027 1.731 . . . . 0.0 110.946 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.258 0.9 OUTLIER -67.29 -19.31 65.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.147 1.34 . . . . 0.0 111.742 166.439 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -57.0 -36.71 70.71 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.324 1.049 . . . . 0.0 113.584 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' B' ' 47' ' ' TRP . 1.1 tpmt? -75.92 -37.58 58.58 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.628 -0.67 . . . . 0.0 112.388 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 3.8 mt -59.65 -48.79 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.235 163.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -56.27 -43.0 78.37 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.574 1.534 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -67.78 -40.73 83.97 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.783 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 38.1 m-20 -64.52 -38.97 92.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 112.387 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.654 ' OE2' 'ZN ' ' B' ' 154' ' ' ' ZN' . 43.0 mm-40 -72.4 -38.99 68.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.413 -0.804 . . . . 0.0 109.805 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -58.34 -36.56 73.62 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.255 -0.903 . . . . 0.0 112.175 169.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.23 -39.97 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.702 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 53.4 m170 -63.44 -44.88 93.26 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.57 1.077 . . . . 0.0 110.948 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.78 -37.88 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.482 1.113 . . . . 0.0 111.737 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.43 -49.17 73.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 120.823 1.647 . . . . 0.0 111.743 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HZ3' ' N ' ' B' ' 37' ' ' ILE . 24.4 m0 -72.66 -41.37 65.49 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.375 0.67 . . . . 0.0 111.751 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.66 -47.19 77.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.685 1.594 . . . . 0.0 111.817 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.68 -43.92 91.99 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.067 0.547 . . . . 0.0 111.508 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -59.28 -24.6 63.39 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HG11 ' B' ' 33' ' ' VAL . 82.1 mt -99.1 -14.67 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.854 1.662 . . . . 0.0 113.118 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -74.29 24.59 0.08 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 126.168 1.787 . . . . 0.0 115.368 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.277 0 C-N-CA 126.012 1.768 . . . . 0.0 112.935 175.232 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -149.84 -32.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.792 1.237 . . . . 0.0 113.146 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -134.53 2.83 3.26 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -44.11 11.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 120.058 1.299 . . . . 0.0 111.596 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.51 -38.28 71.57 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.227 -0.92 . . . . 0.0 112.116 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.82 -35.6 80.45 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.581 1.553 . . . . 0.0 113.031 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.28 -56.1 14.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.092 1.357 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -43.81 69.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.799 2.44 . . . . 0.0 112.707 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.96 -42.81 80.32 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.6 -42.02 95.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.738 0.815 . . . . 0.0 111.911 169.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.6 -33.08 53.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.443 1.497 . . . . 0.0 112.778 170.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -91.01 -24.19 20.16 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.93 -35.11 79.6 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.388 0.995 . . . . 0.0 111.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.04 84.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.191 0.905 . . . . 0.0 110.53 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -60.14 -41.79 93.44 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.522 1.129 . . . . 0.0 112.363 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -68.39 -40.12 81.45 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.639 0.775 . . . . 0.0 112.017 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.19 97.36 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 169.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.3 -34.83 74.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.888 1.675 . . . . 0.0 113.765 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -60.16 -46.69 88.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.743 1.156 . . . . 0.0 112.549 170.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -75.13 -41.23 58.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.75 -41.43 70.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.317 1.047 . . . . 0.0 111.653 170.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.0 t -63.48 -36.58 84.21 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.179 0.9 . . . . 0.0 112.82 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -67.93 -46.01 72.7 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.381 -0.824 . . . . 0.0 111.703 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.4 -45.67 92.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.421 1.488 . . . . 0.0 111.564 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.15 34.11 0.87 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.552 2.341 . . . . 0.0 113.877 -175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -19.98 1.58 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -58.95 129.43 85.74 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 125.405 1.482 . . . . 0.0 111.597 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.03 -22.13 35.89 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.744 2.296 . . . . 0.0 114.78 -162.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.75 -59.07 5.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.134 0.879 . . . . 0.0 111.117 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -62.53 -44.51 96.17 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.616 1.567 . . . . 0.0 111.412 173.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -61.67 -20.09 63.04 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -100.9 -2.5 31.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.826 1.25 . . . . 0.0 114.103 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 51' ' ' ILE . 39.3 t -96.92 -52.47 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.144 1.378 . . . . 0.0 110.576 174.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.46 -18.88 65.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.463 1.029 . . . . 0.0 112.866 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.67 -34.84 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.382 0.673 . . . . 0.0 112.254 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 27.9 mtpp -68.87 -42.13 77.46 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.25 -0.906 . . . . 0.0 112.106 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.605 ' N ' ' HZ3' ' A' ' 47' ' ' TRP . 3.6 mp -62.34 -49.21 84.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 167.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.09 -41.09 64.6 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.072 1.305 . . . . 0.0 113.213 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.13 -36.97 69.54 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.61 1.096 . . . . 0.0 113.441 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.702 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 38.5 m-20 -64.17 -41.11 97.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.437 1.095 . . . . 0.0 112.19 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.624 ' OE2' 'ZN ' ' A' ' 54' ' ' ' ZN' . 37.5 mm-40 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.764 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.15 -38.52 73.65 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.12 0.568 . . . . 0.0 111.345 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -64.91 -45.08 87.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.406 0.682 . . . . 0.0 112.328 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.783 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 46.3 m170 -59.91 -48.58 81.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.632 1.105 . . . . 0.0 111.561 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 21.9 mm -58.05 -37.98 64.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.899 1.279 . . . . 0.0 112.159 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.18 -42.09 98.95 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.073 -1.017 . . . . 0.0 112.753 173.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HG2' ' A' ' 36' ' ' LYS . 27.6 m0 -73.37 -40.67 64.19 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.005 0.922 . . . . 0.0 111.919 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.44 -42.09 73.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.773 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.02 -46.23 82.19 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.3 m -57.7 -29.14 64.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.902 1.281 . . . . 0.0 113.029 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 33' ' ' VAL . 78.0 mt -93.19 -26.76 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 113.668 -176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.55 156.13 31.11 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.044 0.938 . . . . 0.0 112.208 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 C-N-CA 125.775 1.655 . . . . 0.0 112.958 179.163 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . 0.624 'ZN ' ' OE2' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . 0.654 'ZN ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.173 0.511 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -136.5 168.14 20.03 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.393 1.877 . . . . 0.0 109.25 171.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.748 ' HE1' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER 53.99 63.59 2.13 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.149 1.379 . . . . 0.0 112.869 177.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.36 -54.2 0.79 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.866 2.066 . . . . 0.0 111.994 -173.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -69.39 -39.86 77.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.753 1.16 . . . . 0.0 111.354 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.7 -29.19 67.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.582 1.153 . . . . 0.0 112.2 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.08 -60.98 1.96 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.852 0.461 . . . . 0.0 110.679 169.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.42 -44.37 35.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.14 2.576 . . . . 0.0 114.159 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -68.5 -48.88 63.26 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -173.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.4 -32.01 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.886 0.874 . . . . 0.0 112.971 170.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.38 -40.41 74.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 111.602 164.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -82.13 -17.97 44.55 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 174.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.44 -36.78 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.125 -0.985 . . . . 0.0 111.917 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.79 85.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.641 0.655 . . . . 0.0 110.913 166.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.8 mmm -66.87 -41.31 87.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.11 0.964 . . . . 0.0 113.248 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -66.99 -41.73 86.24 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.64 -0.662 . . . . 0.0 111.559 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.792 ' CD1' ' HG2' ' B' ' 6' ' ' GLU . 1.3 mt -55.83 -49.9 72.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.725 0.81 . . . . 0.0 112.012 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.66 ' CE1' HD13 ' B' ' 7' ' ' LEU . 2.1 m-85 -57.92 -38.63 76.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.599 1.56 . . . . 0.0 114.129 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -62.21 -33.84 75.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.721 0.808 . . . . 0.0 112.551 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -80.25 -40.99 25.9 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.0 0.92 . . . . 0.0 112.302 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.27 -36.46 68.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 173.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 t -57.88 -34.08 69.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.632 1.173 . . . . 0.0 113.269 170.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.66 -44.75 77.12 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.185 -0.947 . . . . 0.0 111.917 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.3 -44.67 94.36 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.945 0.898 . . . . 0.0 111.667 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.98 28.19 1.22 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.909 2.084 . . . . 0.0 114.113 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -22.91 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -61.51 129.57 91.27 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.766 1.226 . . . . 0.0 111.448 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.75 -23.89 62.46 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.031 2.487 . . . . 0.0 114.602 -166.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -57.01 -27.47 61.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.592 1.557 . . . . 0.0 114.009 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -109.01 -38.05 5.67 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.076 1.75 . . . . 0.0 112.631 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.86 -33.79 62.22 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -87.47 -2.75 58.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.82 -50.13 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.079 1.352 . . . . 0.0 110.414 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.271 0.9 OUTLIER -67.52 -23.0 65.4 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.482 1.037 . . . . 0.0 112.061 173.743 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -60.97 -36.68 80.04 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.734 -1.229 . . . . 0.0 113.656 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -69.0 -34.47 75.32 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.24 -0.912 . . . . 0.0 112.384 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.51 -50.7 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.001 0.92 . . . . 0.0 109.203 166.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -52.4 -38.6 59.41 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 120.321 1.419 . . . . 0.0 112.694 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.87 -41.93 70.72 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.742 ' OD2' ' NE2' ' B' ' 44' ' ' HIS . 22.6 m-20 -61.45 -39.3 90.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.393 1.077 . . . . 0.0 112.167 173.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -75.64 -34.23 60.52 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.986 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -60.8 -38.05 84.05 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.494 -0.754 . . . . 0.0 111.184 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -62.91 -40.41 97.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.721 0.808 . . . . 0.0 112.6 173.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.967 ' CE1' ' OE2' ' B' ' 41' ' ' GLU . 55.2 m170 -62.27 -48.73 78.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.323 0.965 . . . . 0.0 111.173 175.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.36 -39.47 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.018 0.927 . . . . 0.0 112.047 174.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.62 -49.9 69.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.947 0.794 . . . . 0.0 112.069 172.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 1.258 ' CZ3' HG12 ' B' ' 37' ' ' ILE . 19.7 m0 -72.67 -40.68 66.12 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.105 0.562 . . . . 0.0 111.808 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.12 -43.82 82.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.027 1.731 . . . . 0.0 112.182 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -66.87 -41.19 87.69 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.084 0.554 . . . . 0.0 112.051 172.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -63.4 -26.21 68.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -88.48 -17.1 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.717 1.607 . . . . 0.0 113.204 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.32 163.72 27.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.721 1.208 . . . . 0.0 111.913 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.825 1.679 . . . . 0.0 112.611 -178.471 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -156.51 -178.35 7.28 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.475 1.91 . . . . 0.0 108.841 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -114.07 0.85 14.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -102.28 -36.11 8.61 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -169.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.86 -34.89 75.3 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 118.669 0.668 . . . . 0.0 111.201 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.792 ' HG2' ' CD1' ' A' ' 17' ' ' LEU . 26.2 tt0 -54.94 -43.5 73.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.044 1.738 . . . . 0.0 112.532 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.66 HD13 ' CE1' ' A' ' 18' ' ' TYR . 93.9 mt -65.53 -54.94 21.09 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.41 1.084 . . . . 0.0 112.077 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -43.26 35.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.262 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -65.64 -51.94 55.61 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.53 -31.12 72.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -41.41 80.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.431 1.092 . . . . 0.0 112.833 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.44 -20.75 36.35 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.2 -31.53 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 119.094 0.861 . . . . 0.0 111.958 173.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.63 -48.41 48.06 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.278 0.944 . . . . 0.0 110.024 171.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mtp -53.01 -42.63 65.81 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.682 1.128 . . . . 0.0 113.282 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.7 -35.35 70.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.753 -1.217 . . . . 0.0 111.841 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.748 HD22 ' HE1' ' A' ' 3' ' ' TYR . 9.4 mt -62.41 -40.25 95.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.407 0.683 . . . . 0.0 111.038 169.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.84 -36.56 81.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.72 2.008 . . . . 0.0 113.253 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtp85 -61.44 -46.47 89.95 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.232 0.924 . . . . 0.0 112.641 172.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.34 -37.14 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.493 0.717 . . . . 0.0 112.649 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.86 64.87 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.184 0.994 . . . . 0.0 111.512 168.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t -64.57 -25.41 67.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -50.01 27.37 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.702 1.137 . . . . 0.0 111.267 172.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -66.3 -39.87 89.62 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.55 39.75 1.01 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.55 1.94 . . . . 0.0 113.14 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -17.15 1.76 Allowed 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 172.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.85 135.42 77.54 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 126.43 1.892 . . . . 0.0 112.144 171.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.72 -15.66 33.52 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.556 2.838 . . . . 0.0 115.275 -168.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.31 -40.69 74.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.929 0.892 . . . . 0.0 112.379 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.72 -35.89 16.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.573 1.549 . . . . 0.0 112.903 172.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.94 -3.81 0.86 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -120.85 18.48 11.82 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.885 1.274 . . . . 0.0 113.744 168.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.06 -45.38 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.347 1.859 . . . . 0.0 110.411 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -20.76 60.9 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.193 -0.942 . . . . 0.0 111.629 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.36 -43.77 80.64 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.367 1.067 . . . . 0.0 112.324 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -70.83 -33.07 70.3 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 1.258 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 93.2 mt -66.91 -46.78 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.836 168.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -42.56 64.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.939 1.245 . . . . 0.0 112.816 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.0 -35.3 76.53 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.2 -39.01 86.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.36 1.064 . . . . 0.0 112.361 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.967 ' OE2' ' CE1' ' A' ' 44' ' ' HIS . 51.1 mm-40 -74.74 -37.64 62.47 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.207 -0.933 . . . . 0.0 110.823 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -36.37 69.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.76 170.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -64.77 -43.11 94.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 0.0 112.432 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.742 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 53.4 m170 -61.9 -41.76 98.28 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.374 1.069 . . . . 0.0 112.066 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.76 -39.57 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 111.945 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.92 -40.13 96.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.303 0.956 . . . . 0.0 112.935 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -72.22 -38.51 68.97 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.951 0.9 . . . . 0.0 111.843 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -49.68 72.95 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 170.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.91 -44.61 91.28 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -58.48 -30.15 66.77 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -85.99 -20.53 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.927 1.691 . . . . 0.0 114.185 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -84.27 79.41 9.55 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.18 1.392 . . . . 0.0 112.141 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.371 0 C-N-CA 126.665 2.079 . . . . 0.0 115.308 178.709 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.02 25.15 10.37 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.271 1.396 . . . . 0.0 113.691 -170.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' HE2' ' HA ' ' B' ' 21' ' ' ALA . 2.3 t80 -152.22 48.42 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.367 1.867 . . . . 0.0 110.428 -173.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.16 -51.87 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 112.146 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -57.27 -41.49 79.81 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.379 1.445 . . . . 0.0 111.835 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -22.12 65.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.688 1.595 . . . . 0.0 113.345 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.54 -51.16 5.25 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.078 1.351 . . . . 0.0 110.312 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -41.35 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 128.812 2.845 . . . . 0.0 113.018 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -64.93 -50.57 65.94 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.13 -35.06 77.5 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.191 0.997 . . . . 0.0 112.497 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.03 -34.88 70.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.459 1.104 . . . . 0.0 112.473 166.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -87.01 -21.11 26.34 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.27 -38.23 87.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.21 0.914 . . . . 0.0 111.36 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.11 90.17 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 118.683 0.674 . . . . 0.0 110.215 168.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -62.11 -41.82 98.61 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.93 -36.29 75.21 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.477 1.035 . . . . 0.0 112.34 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.6 -45.93 92.01 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.5 m-85 -58.19 -38.86 77.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.405 1.882 . . . . 0.0 113.288 173.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.94 -30.18 68.9 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.296 1.438 . . . . 0.0 113.696 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -96.46 -41.34 8.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.682 1.193 . . . . 0.0 112.221 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.4 -33.56 54.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.156 0.982 . . . . 0.0 111.85 167.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -57.54 -35.99 71.04 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.93 -45.29 71.18 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.962 -1.086 . . . . 0.0 112.206 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -61.24 -33.77 74.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.184 0.993 . . . . 0.0 112.631 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.15 16.93 10.33 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.693 1.997 . . . . 0.0 115.059 -175.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -45.5 -18.96 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 118.421 2.748 . . . . 0.0 118.421 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -63.76 124.71 85.77 Favored Pre-proline 0 CA--C 1.553 1.088 0 CA-C-N 119.351 0.978 . . . . 0.0 109.899 168.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.78 -26.95 75.09 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.751 2.301 . . . . 0.0 113.891 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.4 -33.53 30.62 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.511 1.524 . . . . 0.0 114.369 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -104.11 -39.51 6.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.683 1.993 . . . . 0.0 112.698 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -59.69 -22.05 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -101.19 7.56 43.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.21 1.404 . . . . 0.0 114.027 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -114.48 -44.81 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 110.994 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.73 -15.08 63.41 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.869 1.213 . . . . 0.0 111.956 168.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.53 -36.92 81.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' B' ' 47' ' ' TRP . 46.3 mttp -65.33 -39.41 92.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.172 0.896 . . . . 0.0 112.242 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' NE2' ' B' ' 44' ' ' HIS . 77.6 mt -62.15 -53.19 50.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 108.28 169.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 18' ' ' TYR . 32.0 mt -50.45 -41.28 52.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.49 1.496 . . . . 0.0 113.718 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.36 -46.8 69.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.67 1.123 . . . . 0.0 113.391 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.737 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 33.8 m-20 -59.19 -35.41 73.53 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.825 1.65 . . . . 0.0 112.675 172.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -87.72 -33.09 18.85 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 110.893 -167.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.96 -32.55 74.1 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 111.732 163.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -59.97 -40.55 89.45 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.11 0.964 . . . . 0.0 112.117 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.706 ' CE1' HG23 ' B' ' 37' ' ' ILE . 57.8 m170 -62.55 -43.11 99.63 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.282 1.033 . . . . 0.0 111.904 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.6 -42.2 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.425 1.09 . . . . 0.0 112.041 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.53 -40.75 83.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.313 0.961 . . . . 0.0 112.558 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 1.036 ' CE3' HG13 ' B' ' 37' ' ' ILE . 22.1 m0 -75.29 -40.29 58.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.84 0.856 . . . . 0.0 111.9 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.49 -41.93 81.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.602 1.561 . . . . 0.0 113.042 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -25.22 61.98 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.808 0.843 . . . . 0.0 113.245 173.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 m -76.47 -31.18 57.64 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.379 1.072 . . . . 0.0 111.109 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.66 HD11 ' CG1' ' B' ' 33' ' ' VAL . 62.0 mt -76.82 -17.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.559 1.944 . . . . 0.0 112.745 174.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -57.02 142.52 41.75 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.685 1.194 . . . . 0.0 112.039 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.49 1.519 . . . . 0.0 112.837 -171.681 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ttm . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 59.64 117.36 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.825 2.05 . . . . 0.0 113.383 -160.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -141.68 30.81 1.67 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.86 1.264 . . . . 0.0 112.127 -170.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.54 -46.01 1.77 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -58.49 -41.5 85.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.667 0.787 . . . . 0.0 110.827 168.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.47 -35.58 78.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.069 0.948 . . . . 0.0 112.66 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.0 -60.68 2.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.911 0.884 . . . . 0.0 110.487 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -43.76 66.31 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.23 2.212 . . . . 0.0 111.748 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -67.4 -41.96 84.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.11 -35.15 69.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.154 0.888 . . . . 0.0 112.934 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.8 -39.48 65.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.271 1.429 . . . . 0.0 111.893 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -84.74 -18.26 35.72 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -68.33 -39.08 82.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.661 1.119 . . . . 0.0 111.447 172.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.97 88.44 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.71 0.686 . . . . 0.0 110.927 171.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.5 tpt -65.72 -44.66 85.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.937 1.695 . . . . 0.0 111.961 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -65.07 -36.21 83.62 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.602 -1.311 . . . . 0.0 112.492 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.46 -47.36 86.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.997 167.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.23 -33.59 74.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.872 1.669 . . . . 0.0 114.288 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.09 -47.5 71.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.526 1.13 . . . . 0.0 112.403 168.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -91.38 -31.8 15.91 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.93 0.892 . . . . 0.0 112.833 -172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.745 ' HA ' ' HE2' ' A' ' 3' ' ' TYR . . . -55.63 -32.18 62.94 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.395 1.478 . . . . 0.0 112.846 171.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.4 t -60.23 -38.57 83.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.099 0.96 . . . . 0.0 112.955 169.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.32 -38.12 51.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.112 1.365 . . . . 0.0 112.559 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -64.97 -34.27 78.04 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.587 1.155 . . . . 0.0 113.227 173.059 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.684 0.794 . . . . 0.0 111.808 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 48.13 17.59 0.12 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.204 2.202 . . . . 0.0 115.565 -172.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -120.63 134.69 24.27 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.416 1.487 . . . . 0.0 110.75 -170.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -65.83 -26.84 52.01 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.125 2.55 . . . . 0.0 114.11 -166.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -62.24 -46.51 88.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.772 0.796 . . . . 0.0 112.005 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -73.45 -39.31 65.05 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.421 1.488 . . . . 0.0 111.571 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -60.81 -4.33 0.96 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.86 2.064 . . . . 0.0 114.228 172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 15.5 m -123.04 12.47 9.65 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.938 1.695 . . . . 0.0 113.368 171.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 51' ' ' ILE . 23.6 t -121.4 -43.71 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.499 1.92 . . . . 0.0 110.691 177.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -17.06 59.81 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.638 1.108 . . . . 0.0 111.02 170.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -69.83 -39.56 76.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.903 1.281 . . . . 0.0 112.356 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -68.13 -39.01 82.83 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.428 -0.795 . . . . 0.0 112.938 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 1.036 HG13 ' CE3' ' A' ' 47' ' ' TRP . 83.9 mt -61.84 -51.3 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.726 167.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.78 -43.46 63.03 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 120.445 1.475 . . . . 0.0 113.571 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.15 -30.67 67.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.884 1.22 . . . . 0.0 113.737 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.87 -34.38 69.15 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.792 1.637 . . . . 0.0 112.754 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.651 ' OE1' ' ND1' ' A' ' 44' ' ' HIS . 6.9 tp10 -93.52 -38.14 11.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.074 1.349 . . . . 0.0 111.09 -161.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.91 -27.86 68.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.431 1.092 . . . . 0.0 111.047 163.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -65.95 -39.08 90.13 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.737 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.7 m170 -59.55 -45.17 92.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.006 0.923 . . . . 0.0 111.232 173.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 44.5 mm -56.9 -44.06 81.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.26 -43.68 78.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 120.176 1.353 . . . . 0.0 112.06 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 36' ' ' LYS . 22.2 m0 -72.71 -44.64 61.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.343 0.657 . . . . 0.0 111.421 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.01 -39.94 60.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.854 1.662 . . . . 0.0 112.327 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.48 -44.21 62.6 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.202 1.001 . . . . 0.0 112.597 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -57.72 -26.82 62.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.773 0.829 . . . . 0.0 112.665 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.62 -6.51 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 127.048 2.139 . . . . 0.0 113.297 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -130.36 62.68 1.58 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.29 1.436 . . . . 0.0 112.001 -169.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 C-N-CA 125.887 1.708 . . . . 0.0 113.542 178.118 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . 0.619 'ZN ' ' OE1' ' B' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.2 -40.36 89.82 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' HE1' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER 47.51 47.32 17.43 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.34 1.856 . . . . 0.0 114.717 174.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -139.94 -44.29 0.43 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.249 1.42 . . . . 0.0 113.126 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -63.08 -38.26 90.47 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 111.265 173.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.78 -40.99 90.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.506 1.523 . . . . 0.0 112.388 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' B' ' 17' ' ' LEU . 63.7 mt -67.36 -55.71 12.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.684 0.793 . . . . 0.0 110.808 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -47.43 45.36 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.221 2.608 . . . . 0.0 112.88 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.97 -48.69 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.33 -33.45 75.75 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.59 -37.68 70.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.411 1.084 . . . . 0.0 111.971 164.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.73 -19.48 41.36 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -36.07 81.43 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.986 1.266 . . . . 0.0 111.748 174.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.15 81.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.687 0.676 . . . . 0.0 110.896 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 tpp -60.3 -41.53 93.62 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.195 0.998 . . . . 0.0 112.971 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.19 -38.45 75.34 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.249 -0.907 . . . . 0.0 111.771 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' B' ' 7' ' ' LEU . 5.3 mt -58.32 -49.72 76.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.242 0.617 . . . . 0.0 111.224 167.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -54.42 -37.56 65.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.766 1.627 . . . . 0.0 114.54 172.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -60.54 -28.47 68.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.746 1.218 . . . . 0.0 113.427 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.46 -36.33 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.057 1.343 . . . . 0.0 112.626 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.33 -37.74 56.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.048 0.939 . . . . 0.0 111.654 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t -56.7 -34.53 67.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.533 1.133 . . . . 0.0 113.622 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -72.38 -44.45 62.52 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.007 -1.058 . . . . 0.0 111.928 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.23 -18.71 63.83 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.649 1.179 . . . . 0.0 113.465 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.72 30.2 7.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.761 2.425 . . . . 0.0 112.616 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -48.83 -25.77 2.05 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.26 133.97 95.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.801 2.04 . . . . 0.0 111.465 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -63.3 -20.23 70.01 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.719 2.279 . . . . 0.0 113.487 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -56.58 -20.34 20.39 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.994 2.118 . . . . 0.0 114.599 169.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -126.06 -35.05 2.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.067 1.747 . . . . 0.0 113.255 175.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -66.65 2.15 1.47 Allowed 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -125.68 17.95 8.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.895 1.678 . . . . 0.0 112.662 167.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.5 t -121.98 -50.01 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.797 1.639 . . . . 0.0 110.656 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -19.98 65.44 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.406 1.003 . . . . 0.0 110.759 170.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.1 -29.9 71.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.163 1.385 . . . . 0.0 112.785 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -40.43 53.73 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.525 -0.735 . . . . 0.0 110.886 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -61.21 -48.68 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.263 1.025 . . . . 0.0 109.515 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -53.69 -40.67 66.2 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.69 1.132 . . . . 0.0 112.821 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -67.31 -43.83 80.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.951 0.796 . . . . 0.0 113.046 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' B' ' 44' ' ' HIS . 11.8 m-20 -60.25 -39.95 88.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.789 1.236 . . . . 0.0 112.18 173.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -74.8 -36.71 62.48 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.278 -0.889 . . . . 0.0 111.176 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.42 -36.2 77.59 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.651 -0.656 . . . . 0.0 111.329 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -66.15 -41.29 90.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.574 0.75 . . . . 0.0 112.534 172.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HE2' ' CB ' ' B' ' 40' ' ' ASP . 55.9 m170 -61.59 -47.87 83.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 119.464 1.029 . . . . 0.0 111.521 174.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.14 -42.16 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 124.179 0.992 . . . . 0.0 111.113 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -56.26 -42.53 77.54 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.689 1.131 . . . . 0.0 112.207 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CE3' ' CG1' ' B' ' 37' ' ' ILE . 26.1 m0 -75.19 -39.09 60.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 112.679 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.06 -41.83 98.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.59 -33.02 74.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.85 1.26 . . . . 0.0 112.058 169.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.2 m -71.3 -33.7 69.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.28 0.562 . . . . 0.0 111.098 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.88 -15.02 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.151 1.78 . . . . 0.0 113.174 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -104.05 34.0 3.22 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.475 1.91 . . . . 0.0 113.203 -176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 CA-C-O 118.337 -1.257 . . . . 0.0 113.732 175.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -123.34 40.24 3.77 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.074 1.306 . . . . 0.0 113.817 -160.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -134.04 51.17 2.14 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.576 1.15 . . . . 0.0 113.435 -168.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.42 -53.27 0.78 Allowed 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -54.45 -34.65 61.85 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.581 1.152 . . . . 0.0 112.23 167.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.28 -46.44 64.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.477 0.711 . . . . 0.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 17' ' ' LEU . 28.3 mt -59.72 -51.65 68.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.111 0.964 . . . . 0.0 110.792 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.83 -41.45 61.79 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 127.969 2.508 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -56.75 13.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.97 -32.17 73.62 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.37 0.668 . . . . 0.0 112.556 175.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.63 -38.06 74.37 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.489 1.115 . . . . 0.0 113.277 165.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.35 -19.97 28.99 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 174.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -64.68 -33.92 77.09 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.305 0.957 . . . . 0.0 111.859 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.14 67.02 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.176 0.898 . . . . 0.0 110.676 170.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.87 -36.88 68.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -79.94 -32.05 40.0 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.482 HD22 ' HE1' ' A' ' 3' ' ' TYR . 6.1 mt -58.03 -47.43 83.11 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.417 162.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 15.3 m-85 -56.88 -42.42 79.79 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.758 1.623 . . . . 0.0 114.256 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -61.29 -28.13 68.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -103.27 -37.24 7.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.936 0.894 . . . . 0.0 112.703 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.51 -39.14 60.96 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.735 1.214 . . . . 0.0 111.419 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -65.47 -24.92 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.02 -42.34 57.48 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.02 -1.05 . . . . 0.0 111.198 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -48.99 31.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.421 1.088 . . . . 0.0 111.603 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.55 47.79 0.86 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.52 1.928 . . . . 0.0 112.339 171.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -13.35 9.96 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.27 133.16 95.36 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 126.074 1.75 . . . . 0.0 111.171 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -67.78 -16.3 45.85 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.37 2.713 . . . . 0.0 114.579 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.23 -64.02 0.99 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 111.15 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -37.48 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.168 0.987 . . . . 0.0 111.539 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -66.65 -0.56 2.96 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t -123.58 16.7 9.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.581 1.552 . . . . 0.0 112.825 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.88 -50.94 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.869 1.668 . . . . 0.0 109.898 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -19.13 61.54 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.376 -0.828 . . . . 0.0 111.802 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.32 -34.48 68.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.931 0.892 . . . . 0.0 112.438 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -72.83 -35.5 67.3 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.384 -0.822 . . . . 0.0 112.051 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.445 ' CG1' ' CE3' ' A' ' 47' ' ' TRP . 88.2 mt -59.87 -57.78 10.15 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 CA-C-O 117.338 -1.315 . . . . 0.0 108.972 164.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.32 0.5 OUTLIER -59.71 -29.39 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 121.375 1.898 . . . . 0.0 113.523 -173.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.95 -41.16 68.09 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.569 1.077 . . . . 0.0 113.798 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' HE2' ' A' ' 44' ' ' HIS . 11.1 m-20 -61.12 -37.52 83.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.993 1.317 . . . . 0.0 111.996 167.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.69 -36.65 43.27 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.05 1.34 . . . . 0.0 111.72 -169.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.77 -33.11 74.5 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.837 0.855 . . . . 0.0 111.538 167.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -60.24 -37.2 79.63 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.346 1.058 . . . . 0.0 112.482 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 40' ' ' ASP . 52.1 m170 -65.7 -42.53 91.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.13 0.972 . . . . 0.0 112.279 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.06 -40.21 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.734 0.814 . . . . 0.0 110.598 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.07 -46.13 75.42 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.008 0.822 . . . . 0.0 112.741 171.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -73.58 -40.02 64.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.928 0.891 . . . . 0.0 112.363 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.19 -44.7 83.86 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.969 1.708 . . . . 0.0 111.911 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.29 -31.28 72.38 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.646 0.779 . . . . 0.0 112.468 172.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 12.1 m -74.6 -29.07 61.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.913 -0.492 . . . . 0.0 111.62 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.8 -25.1 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.094 1.358 . . . . 0.0 112.96 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.29 91.34 4.4 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.804 1.642 . . . . 0.0 112.013 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.191 0 C-N-CA 124.928 1.251 . . . . 0.0 113.229 175.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.23 -0.414 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -138.87 -49.28 0.51 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.131 0.878 . . . . 0.0 113.259 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -144.76 43.4 1.36 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pp -133.54 -52.08 0.87 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 169.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.711 1.141 . . . . 0.0 112.099 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.87 -43.29 96.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.909 0.884 . . . . 0.0 112.45 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.96 -49.31 75.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.191 0.996 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.9 65.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.948 2.499 . . . . 0.0 113.291 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.79 -53.22 35.13 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.75 -35.33 79.44 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 112.784 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.1 -43.84 74.37 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.199 1.0 . . . . 0.0 112.431 166.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -84.32 -23.28 30.31 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.6 -35.53 77.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 119.074 0.852 . . . . 0.0 111.775 172.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.12 74.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.151 0.887 . . . . 0.0 110.808 169.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.53 -40.12 86.16 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.311 1.044 . . . . 0.0 112.716 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -41.05 80.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.325 -0.86 . . . . 0.0 111.519 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' B' ' 7' ' ' LEU . 8.3 mt -58.74 -46.98 86.19 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.854 0.862 . . . . 0.0 111.204 171.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -53.21 -43.71 67.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.526 1.53 . . . . 0.0 114.744 168.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -63.35 -31.06 72.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.96 1.254 . . . . 0.0 114.013 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.6 -39.62 13.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.012 0.925 . . . . 0.0 112.178 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.48 61.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 111.63 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 t -59.67 -38.5 81.67 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.497 1.119 . . . . 0.0 113.718 173.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.224 -0.922 . . . . 0.0 110.334 171.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB3' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -57.88 -35.98 71.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.014 1.326 . . . . 0.0 113.617 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.23 24.75 4.19 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.41 2.284 . . . . 0.0 113.948 -175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -17.76 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.65 119.5 44.44 Favored Pre-proline 0 CA--C 1.554 1.117 0 CA-C-N 119.604 1.093 . . . . 0.0 111.1 166.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.94 -16.31 40.9 Favored 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 123.936 3.091 . . . . 0.0 115.506 -156.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.25 -68.61 0.36 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.877 1.271 . . . . 0.0 110.737 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -39.76 64.03 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.803 1.641 . . . . 0.0 111.854 167.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -56.85 -28.59 61.88 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -95.78 3.23 53.96 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.68 -50.47 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.011 1.324 . . . . 0.0 110.403 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -19.78 65.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.516 1.053 . . . . 0.0 112.694 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -57.52 -39.97 77.72 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.902 0.881 . . . . 0.0 113.218 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.73 -39.84 88.13 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.532 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.55 -47.06 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.418 172.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.284 0.1 OUTLIER -58.72 -38.56 78.6 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.432 1.014 . . . . 0.0 111.898 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -72.73 -36.3 67.74 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.31 0.959 . . . . 0.0 113.328 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -63.87 -40.7 97.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.739 1.215 . . . . 0.0 112.555 168.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.47 -38.18 84.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.553 -0.717 . . . . 0.0 110.167 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.42 -39.61 76.57 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.164 -0.96 . . . . 0.0 112.846 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -64.89 -43.19 93.7 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.565 -0.71 . . . . 0.0 111.853 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -61.23 -42.85 99.32 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.048 0.939 . . . . 0.0 112.308 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.06 -42.58 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 111.252 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.59 -41.99 95.83 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.973 0.806 . . . . 0.0 112.575 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -73.65 -32.91 64.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.452 1.101 . . . . 0.0 112.079 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -48.84 79.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.345 1.058 . . . . 0.0 112.077 173.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -23.31 67.32 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.223 0.609 . . . . 0.0 112.456 172.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -79.84 -30.75 40.45 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.61 0.764 . . . . 0.0 112.333 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mm -78.13 -24.03 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.616 1.566 . . . . 0.0 112.801 172.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -67.13 160.09 27.51 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.144 1.378 . . . . 0.0 112.426 168.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 118.203 -1.332 . . . . 0.0 112.975 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -140.99 51.46 1.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.671 0.788 . . . . 0.0 111.326 -154.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 24' ' ' LYS . 12.1 p90 -133.02 49.34 2.32 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.645 1.178 . . . . 0.0 113.508 -165.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -126.13 -43.19 1.82 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -66.13 -36.7 83.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.808 0.843 . . . . 0.0 111.811 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.67 -42.96 99.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.383 1.473 . . . . 0.0 112.646 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 17' ' ' LEU . 40.3 mt -62.19 -55.95 23.55 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -43.49 70.38 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 128.581 2.753 . . . . 0.0 112.716 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.35 -48.55 72.59 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.64 -36.69 85.07 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.203 0.91 . . . . 0.0 112.28 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.89 -37.4 68.81 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.676 1.19 . . . . 0.0 113.448 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -88.56 -24.09 22.97 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -66.97 -35.26 79.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.944 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.3 80.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.306 0.957 . . . . 0.0 110.486 169.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -43.83 93.56 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.066 0.946 . . . . 0.0 113.009 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.37 -36.45 79.22 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.45 -1.406 . . . . 0.0 112.761 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.44 -42.67 87.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.09 0.556 . . . . 0.0 111.553 167.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -62.27 -43.13 99.53 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.866 1.666 . . . . 0.0 113.063 175.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -44.59 83.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.988 1.315 . . . . 0.0 111.627 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.09 -35.22 21.96 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.1 -33.94 65.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.284 0.633 . . . . 0.0 111.661 170.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -56.05 -30.92 62.64 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.138 0.975 . . . . 0.0 113.602 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.51 -44.48 74.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.03 -1.044 . . . . 0.0 112.523 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.39 -41.37 76.54 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.681 -0.637 . . . . 0.0 112.253 172.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.16 21.74 0.57 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.109 2.164 . . . . 0.0 114.13 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -21.03 2.23 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -58.85 130.32 85.91 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.026 0.93 . . . . 0.0 110.142 170.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -62.36 -21.89 73.32 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 122.986 2.457 . . . . 0.0 114.024 -170.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.69 -43.62 98.51 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 112.738 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.9 -36.79 13.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.422 1.489 . . . . 0.0 112.437 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.12 -29.02 60.08 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -97.42 11.74 35.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.98 -46.37 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.759 1.224 . . . . 0.0 110.421 172.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -18.26 63.39 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.59 1.086 . . . . 0.0 112.532 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.13 -43.0 96.0 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.864 . . . . 0.0 113.09 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -69.44 -36.6 76.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.362 -0.836 . . . . 0.0 112.656 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.3 -52.01 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.886 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.282 0.4 OUTLIER -61.12 -33.69 73.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.383 1.447 . . . . 0.0 112.714 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -71.95 -37.98 69.86 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.366 -0.834 . . . . 0.0 113.009 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -61.46 -38.48 87.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.535 1.134 . . . . 0.0 112.043 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -70.92 -37.9 72.93 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.135 -0.978 . . . . 0.0 111.567 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.62 -37.75 76.54 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.221 -0.924 . . . . 0.0 111.702 170.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -61.99 -43.62 98.46 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 112.314 171.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -63.09 -43.1 99.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.698 1.136 . . . . 0.0 112.197 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.36 -39.45 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.259 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.84 -45.17 86.63 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.675 1.125 . . . . 0.0 112.535 171.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -72.79 -37.77 67.47 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.537 -0.727 . . . . 0.0 112.389 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.46 -44.76 89.36 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.828 1.651 . . . . 0.0 111.785 171.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.51 -35.52 77.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.24 0.616 . . . . 0.0 112.172 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -71.15 -21.98 62.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.968 0.507 . . . . 0.0 112.333 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.02 -16.29 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.098 1.759 . . . . 0.0 113.604 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.78 154.64 36.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.142 1.377 . . . . 0.0 112.309 173.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.167 0 C-N-CA 125.222 1.391 . . . . 0.0 112.937 -179.822 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.86 -52.02 34.18 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.91 45.43 0.13 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -171.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.96 -51.09 0.6 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 169.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.41 69.31 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.527 -1.358 . . . . 0.0 111.864 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.33 -25.1 32.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.853 . . . . 0.0 113.292 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.55 -45.92 5.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 111.866 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -38.74 10.88 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.115 2.166 . . . . 0.0 112.57 172.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -65.41 -53.55 41.47 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.14 -36.11 82.52 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.857 0.863 . . . . 0.0 112.55 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.83 -41.69 71.0 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.839 1.256 . . . . 0.0 111.832 168.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -80.66 -25.8 38.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.03 -34.96 79.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.144 0.884 . . . . 0.0 111.975 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.52 80.21 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.779 169.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 mtp -64.01 -36.15 83.06 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.997 1.271 . . . . 0.0 112.802 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -69.71 -40.65 76.14 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.303 1.041 . . . . 0.0 111.876 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.07 -42.67 98.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.071 0.948 . . . . 0.0 112.604 168.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -63.48 -34.05 76.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.766 1.626 . . . . 0.0 113.117 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -54.06 -43.68 70.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.53 0.732 . . . . 0.0 112.431 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.77 -38.68 21.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.016 0.926 . . . . 0.0 113.033 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.56 -37.53 73.28 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.571 0.749 . . . . 0.0 112.309 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 t -61.14 -41.02 95.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.565 0.746 . . . . 0.0 112.83 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.58 -43.89 71.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.079 -1.013 . . . . 0.0 112.361 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.75 -29.54 67.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.589 1.156 . . . . 0.0 113.192 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.58 -58.06 8.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.604 1.161 . . . . 0.0 112.678 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER 34.81 28.39 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.543 2.337 . . . . 0.0 116.666 -169.092 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -134.86 130.43 19.6 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.621 1.569 . . . . 0.0 110.873 -172.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -67.08 -22.81 46.99 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.517 2.811 . . . . 0.0 114.708 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.06 -27.38 68.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.422 1.089 . . . . 0.0 112.884 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.25 -28.27 5.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.625 1.97 . . . . 0.0 113.913 178.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.58 -21.53 53.33 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.629 1.104 . . . . 0.0 113.965 168.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -103.41 11.07 36.99 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.219 1.408 . . . . 0.0 113.836 174.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -114.64 -44.42 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.914 1.286 . . . . 0.0 110.798 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -18.69 65.5 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.572 1.078 . . . . 0.0 112.499 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -65.17 -34.91 79.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.076 -1.015 . . . . 0.0 113.704 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -69.07 -39.51 79.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.061 0.846 . . . . 0.0 112.522 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.406 HG13 ' CZ3' ' B' ' 47' ' ' TRP . 9.5 mt -60.06 -49.14 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.176 168.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.6 mt -52.12 -40.17 60.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.412 1.46 . . . . 0.0 113.031 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.46 -36.06 63.32 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.82 -43.24 99.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.764 1.226 . . . . 0.0 111.365 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.78 -33.06 71.89 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.766 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.79 -37.68 85.26 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.085 -1.009 . . . . 0.0 112.661 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -66.49 -37.98 86.26 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.994 0.815 . . . . 0.0 112.164 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -61.6 -46.44 89.84 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 0.0 111.216 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.27 -39.57 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.51 1.124 . . . . 0.0 112.037 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.21 -49.74 68.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.096 1.316 . . . . 0.0 111.649 172.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CZ3' HG13 ' B' ' 37' ' ' ILE . 26.7 m0 -71.47 -40.05 70.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.13 0.572 . . . . 0.0 111.355 -176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.88 -47.97 81.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.987 1.315 . . . . 0.0 112.38 174.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -32.54 70.54 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.444 -0.785 . . . . 0.0 112.301 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -62.46 -38.46 89.9 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.918 -1.114 . . . . 0.0 113.223 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.8 mm -75.87 -14.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.652 1.581 . . . . 0.0 112.923 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -73.01 40.49 0.09 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 126.744 2.018 . . . . 0.0 114.491 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.387 1.47 . . . . 0.0 113.238 174.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.58 -50.43 0.61 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.997 0.919 . . . . 0.0 112.49 -175.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . 0.266 46.7 p90 41.66 37.8 0.8 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 127.922 2.489 . . . . 0.0 116.956 169.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.85 -47.93 0.87 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -63.12 -36.56 84.01 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.51 1.05 . . . . 0.0 111.695 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.46 -48.54 78.89 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.618 1.567 . . . . 0.0 112.042 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.18 -53.57 29.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.104 1.762 . . . . 0.0 112.24 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -47.24 59.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.522 1.929 . . . . 0.0 112.178 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -61.39 -44.21 97.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.53 -38.89 88.13 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.348 0.977 . . . . 0.0 113.017 170.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.02 -36.2 65.24 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.715 1.606 . . . . 0.0 112.497 167.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -86.36 -26.51 24.78 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -64.31 -36.45 84.16 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.355 -0.84 . . . . 0.0 111.048 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.86 81.61 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 122.94 0.496 . . . . 0.0 110.148 171.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -39.93 89.28 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.412 1.005 . . . . 0.0 112.287 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.81 0.844 . . . . 0.0 111.622 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.38 -43.42 88.5 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 123.521 0.728 . . . . 0.0 111.718 167.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.448 ' CZ ' HG21 ' B' ' 37' ' ' ILE . 8.8 m-85 -67.59 -28.25 67.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.658 1.583 . . . . 0.0 113.531 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.31 -47.76 80.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.9 0.773 . . . . 0.0 112.833 167.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -34.89 30.31 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.764 -174.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.65 64.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.836 1.655 . . . . 0.0 112.138 172.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.3 t -61.85 -40.77 96.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.317 0.647 . . . . 0.0 112.403 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.63 -44.08 65.01 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 120.985 -1.072 . . . . 0.0 112.299 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -70.68 -23.24 62.45 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.21 23.29 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.897 0.879 . . . . 0.0 112.168 164.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER 37.29 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.995 2.118 . . . . 0.0 115.83 -166.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -124.99 127.35 25.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.026 1.73 . . . . 0.0 110.363 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.22 -27.6 41.06 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.285 2.657 . . . . 0.0 114.225 -165.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.46 -48.23 82.1 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.707 0.803 . . . . 0.0 111.712 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -60.54 -43.23 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.886 1.274 . . . . 0.0 110.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.65 -2.48 0.36 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.861 2.064 . . . . 0.0 115.278 172.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -124.71 10.1 8.35 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.296 1.438 . . . . 0.0 112.996 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.31 -42.46 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.311 1.444 . . . . 0.0 110.802 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -18.11 55.5 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.851 1.205 . . . . 0.0 111.66 173.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -64.47 -42.89 95.64 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.796 0.839 . . . . 0.0 112.135 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.96 -34.99 76.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.463 -0.773 . . . . 0.0 112.483 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.598 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 69.7 mt -64.35 -52.82 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.153 169.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . 0.302 0.4 OUTLIER -60.15 -33.86 72.76 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.185 1.357 . . . . 0.0 112.752 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.7 -36.49 67.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 120.293 1.406 . . . . 0.0 113.847 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.54 -43.56 98.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.161 0.984 . . . . 0.0 111.454 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.28 -34.07 72.34 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.627 -0.671 . . . . 0.0 111.002 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -63.94 -39.64 94.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.594 0.757 . . . . 0.0 112.136 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.358 -0.839 . . . . 0.0 111.609 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.82 -17.36 22.91 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 116.879 -1.534 . . . . 0.0 113.524 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mm -80.81 -44.45 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 122.188 2.267 . . . . 0.0 109.075 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.1 -34.37 63.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.809 1.244 . . . . 0.0 112.002 172.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.406 ' CZ3' HG13 ' A' ' 37' ' ' ILE . 36.9 m0 -80.02 -41.87 24.92 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.343 1.057 . . . . 0.0 112.329 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -48.58 80.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.791 0.837 . . . . 0.0 112.253 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -27.95 69.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.463 0.705 . . . . 0.0 112.772 173.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -33.02 71.0 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.221 -0.924 . . . . 0.0 112.487 171.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.42 -18.51 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 113.46 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.97 104.46 0.87 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.536 1.534 . . . . 0.0 112.022 173.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.25 1.405 . . . . 0.0 113.045 179.14 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_