data_2lz1_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 2lz1 _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 ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.261 0.553 . . . . 75.239999999999995 109.614 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -72.07 177.65 4.26 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.276 1.03 . . . . 74.329999999999998 112.481 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.73 -36.52 72.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.521 0.729 . . . . 74.140000000000001 111.564 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 68' ' ' ILE . 5.2 m-20 -62.37 -28.66 69.92 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.958 0.903 . . . . 72.230000000000004 111.914 176.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.26 -44.35 65.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.626 0.77 . . . . 73.140000000000001 110.051 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.86 -39.13 84.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.761 0.824 . . . . 75.0 111.416 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -71.68 -31.8 67.17 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.209 1.004 . . . . 75.540000000000006 111.647 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.74 87.94 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.430000000000007 111.025 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -67.57 -38.34 83.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.546 0.738 . . . . 74.299999999999997 111.923 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.48 92.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.306 0.643 . . . . 72.329999999999998 112.243 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.3 -8.46 50.83 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.425 0.69 . . . . 74.230000000000004 112.526 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 59.07 58.99 2.92 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.303 1.041 . . . . 74.310000000000002 111.738 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -74.16 131.46 80.92 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.834 0.854 . . . . 73.510000000000005 110.657 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.01 -6.28 18.71 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 122.784 2.323 . . . . 72.239999999999995 114.279 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.44 150.6 68.21 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.752 0.821 . . . . 73.349999999999994 109.36 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.59 157.62 61.08 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 121.996 1.797 . . . . 73.219999999999999 113.099 174.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.03 -47.0 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 C-N-CA 125.642 1.577 . . . . 72.530000000000001 112.304 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.76 -46.66 84.21 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.859 1.264 . . . . 73.310000000000002 112.666 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -69.8 -30.52 68.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.869 0.692 . . . . 74.099999999999994 112.869 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -38.33 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.007 0.523 . . . . 64.430000000000007 110.767 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mt -77.3 -40.59 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.496 0.718 . . . . 73.430000000000007 111.141 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.58 -22.19 51.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.425 0.898 . . . . 61.240000000000002 113.425 -172.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.96 111.74 44.61 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 122.908 0.483 . . . . 74.450000000000003 110.207 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.73 162.41 25.1 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.781 2.321 . . . . 64.219999999999999 111.944 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.14 -43.0 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.108 0.563 . . . . 74.219999999999999 112.205 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.49 -52.03 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.553 0.741 . . . . 71.25 112.043 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 -37.02 74.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.049 0.94 . . . . 74.230000000000004 111.806 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.41 -31.36 71.52 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.475 1.11 . . . . 75.299999999999997 111.132 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' HA ' ' HG2' ' A' ' 52' ' ' MET . 0.9 OUTLIER -56.61 -29.35 62.04 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 112.796 0.665 . . . . 72.0 112.796 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.07 -39.24 92.95 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.965 0.412 . . . . 74.040000000000006 110.974 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 1.2 mpt? -66.46 -42.02 88.19 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.695 0.798 . . . . 75.409999999999997 111.941 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' A' ' 49' ' ' ASN . 22.0 ptp -75.2 -17.51 60.35 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 112.112 0.412 . . . . 74.019999999999996 112.112 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -68.43 -26.4 65.5 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.956 0.503 . . . . 64.010000000000005 111.053 171.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.6 -53.18 4.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.284 0.564 . . . . 73.329999999999998 110.782 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -118.47 122.89 43.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.213 1.005 . . . . 62.140000000000001 110.706 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.08 144.41 52.14 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.577 0.351 . . . . 73.349999999999994 110.732 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.23 130.55 56.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.186 0.594 . . . . 73.310000000000002 110.116 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.1 165.6 23.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.648 0.779 . . . . 74.400000000000006 111.876 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.8 -38.45 67.32 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.856 0.862 . . . . 73.239999999999995 113.246 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.5 69.36 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.68 0.792 . . . . 74.219999999999999 111.543 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.64 -46.52 89.43 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.474 0.71 . . . . 71.319999999999993 111.485 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.25 -37.25 82.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.759 0.823 . . . . 75.439999999999998 112.354 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.199 0.6 . . . . 73.310000000000002 111.904 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.05 -48.73 56.69 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.087 0.555 . . . . 73.340000000000003 111.568 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.78 -34.0 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.922 0.889 . . . . 74.299999999999997 111.202 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -65.5 -48.18 73.45 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.018 0.927 . . . . 73.239999999999995 111.029 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -74.09 -47.64 35.05 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.869 0.868 . . . . 71.530000000000001 112.477 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 24' ' ' ASP . 51.9 mt -53.15 -48.48 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 124.385 1.074 . . . . 72.420000000000002 112.518 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -62.24 -29.71 70.59 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.868 0.867 . . . . 74.530000000000001 112.386 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -79.36 -24.91 42.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.473 0.709 . . . . 71.420000000000002 112.242 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 . . . . . 0 N--CA 1.479 1.022 0 C-N-CA 122.941 0.496 . . . . 74.340000000000003 111.202 -175.089 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 CA--C 1.548 0.9 0 CA-C-O 121.023 0.44 . . . . 73.340000000000003 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -68.44 175.15 3.55 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.856 0.862 . . . . 75.200000000000003 111.83 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -55.47 -42.57 74.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.545 0.738 . . . . 70.299999999999997 112.148 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' HB2' HG13 ' A' ' 37' ' ' VAL . 4.9 m-20 -77.78 -28.79 50.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 74.209999999999994 112.369 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 9.9 mm-40 -60.1 -38.17 82.17 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.893 0.477 . . . . 63.100000000000001 110.498 172.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.26 -45.89 89.99 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.408 0.683 . . . . 74.530000000000001 110.835 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -66.82 -35.24 79.6 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.381 -0.827 . . . . 74.329999999999998 111.309 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -44.62 76.16 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.173 0.989 . . . . 75.420000000000002 112.271 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 24.4 mmtp -74.68 -24.53 58.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.658 0.383 . . . . 73.129999999999995 110.891 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.63 69.14 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.585 0.754 . . . . 73.510000000000005 111.434 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD12 HD22 ' A' ' 64' ' ' LEU . 96.7 mt -92.24 -9.46 42.11 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.733 . . . . 73.420000000000002 112.716 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 65.3 58.56 0.85 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 124.724 1.21 . . . . 75.400000000000006 112.338 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.586 HG21 ' H ' ' A' ' 35' ' ' PHE . 35.8 mm -75.22 126.51 87.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 123.012 0.525 . . . . 74.430000000000007 110.327 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.81 -4.1 13.37 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.314 2.676 . . . . 72.349999999999994 114.35 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.586 ' H ' HG21 ' A' ' 33' ' ' ILE . 39.5 m-85 -115.82 158.99 40.76 Favored Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.577 1.151 . . . . 74.310000000000002 110.733 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -79.52 143.63 17.23 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 121.864 1.71 . . . . 75.310000000000002 111.3 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 24' ' ' ASP . 76.2 t -56.53 -36.03 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.728 0.811 . . . . 74.239999999999995 111.861 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -50.81 -51.59 49.39 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.867 0.867 . . . . 74.239999999999995 111.608 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.64 -43.74 83.81 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.769 0.655 . . . . 63.32 112.769 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 35' ' ' PHE . 49.7 mt -62.32 -29.19 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 118.794 0.725 . . . . 73.150000000000006 111.783 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -69.25 -46.25 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.729 0.412 . . . . 74.349999999999994 111.101 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -92.45 0.28 57.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.623 0.972 . . . . 63.43 113.623 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.3 122.71 68.33 Favored Pre-proline 0 N--CA 1.479 1.009 0 N-CA-C 108.953 -0.758 . . . . 73.420000000000002 108.953 171.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.71 132.85 54.58 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.392 2.061 . . . . 74.230000000000004 111.596 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 HH11 ' A' ' 69' ' ' ARG . 76.9 t -52.37 -31.32 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.841 0.856 . . . . 73.010000000000005 112.265 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.08 -52.54 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 122.945 0.498 . . . . 53.299999999999997 111.154 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.99 -38.64 89.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.843 0.857 . . . . 70.310000000000002 111.756 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.74 -37.32 65.12 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.607 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.56 -32.42 62.41 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 112.043 0.386 . . . . 63.119999999999997 112.043 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.4 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.294 0.637 . . . . 73.129999999999995 110.49 173.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.9 ttm -69.52 -54.85 12.16 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.085 -0.961 . . . . 74.340000000000003 110.446 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.12 -28.72 68.1 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.264 1.426 . . . . 61.030000000000001 113.604 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -59.25 -29.78 67.8 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.2 0.6 . . . . 51.530000000000001 112.547 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.39 -47.19 4.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.559 0.743 . . . . 73.019999999999996 110.798 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.07 83.59 2.93 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.426 0.69 . . . . 64.420000000000002 110.089 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.34 160.72 30.67 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.352 -0.84 . . . . 75.450000000000003 113.061 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -135.51 168.07 19.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.946 0.898 . . . . 72.040000000000006 110.473 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.74 157.43 37.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.256 0.622 . . . . 63.119999999999997 110.718 171.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.04 -40.99 74.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.57 0.748 . . . . 63.020000000000003 112.732 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.81 -37.24 79.09 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.767 0.827 . . . . 73.120000000000005 112.001 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.51 -42.65 95.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.378 0.671 . . . . 75.329999999999998 111.436 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 99.4 mt -64.38 -38.13 89.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.538 0.735 . . . . 63.25 112.046 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.48 83.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.063 0.545 . . . . 74.140000000000001 111.772 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -69.6 -43.18 73.32 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.299 0.639 . . . . 74.530000000000001 111.774 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.73 -34.16 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.632 0.773 . . . . 73.010000000000005 111.966 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 86.1 mtt180 -61.83 -40.24 94.62 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.216 0.606 . . . . 75.340000000000003 111.422 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.2 -45.78 58.92 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.561 0.744 . . . . 70.040000000000006 111.19 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -47.42 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 C-N-CA 123.679 0.792 . . . . 75.430000000000007 111.911 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 HH11 HG12 ' A' ' 45' ' ' VAL . 68.8 mtm180 -65.42 -29.16 69.81 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.803 0.441 . . . . 72.409999999999997 111.757 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -68.51 -24.68 64.69 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.083 0.553 . . . . 72.239999999999995 111.296 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 123.297 0.639 . . . . 73.219999999999999 111.548 173.141 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt . . . . . 0 CA--C 1.549 0.917 0 CA-C-O 121.034 0.445 . . . . 75.439999999999998 111.693 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 p -71.78 173.67 7.9 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.733 -0.667 . . . . 74.140000000000001 110.58 170.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.22 75.98 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.146 0.974 . . . . 74.540000000000006 109.657 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.52 -41.21 63.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 113.463 -1.699 . . . . 73.510000000000005 111.1 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.96 -38.91 87.58 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.65 0.78 . . . . 72.340000000000003 111.636 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.03 -50.23 67.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.482 0.713 . . . . 74.519999999999996 111.898 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -69.75 -30.79 68.47 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.879 0.472 . . . . 75.010000000000005 111.702 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -54.06 29.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.259 0.624 . . . . 73.439999999999998 111.046 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.12 -23.2 64.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.429 0.692 . . . . 73.439999999999998 111.76 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.59 85.08 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.301 0.64 . . . . 63.210000000000001 111.566 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD11 HD22 ' A' ' 64' ' ' LEU . 32.5 mt -83.74 4.21 29.87 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.521 0.728 . . . . 75.340000000000003 112.121 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 59.52 49.01 9.02 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.912 1.285 . . . . 73.109999999999999 112.148 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.2 119.96 71.26 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 108.527 -0.916 . . . . 75.519999999999996 108.527 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.16 -3.81 13.64 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.5 2.133 . . . . 72.530000000000001 113.928 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.513 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 23.1 m-85 -123.29 156.84 62.9 Favored Pre-proline 0 CA--C 1.56 1.331 0 C-N-CA 124.12 0.968 . . . . 74.109999999999999 110.395 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 158.19 55.31 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 121.844 1.696 . . . . 71.319999999999993 112.673 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.72 -44.37 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 124.56 1.144 . . . . 73.420000000000002 112.719 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.01 -34.01 69.56 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.362 0.665 . . . . 73.219999999999999 112.224 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 62.7 tttp -71.73 -39.98 69.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.932 0.493 . . . . 75.140000000000001 112.057 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -42.95 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 121.129 0.49 . . . . 73.140000000000001 110.138 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.2 -37.6 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.993 0.917 . . . . 75.129999999999995 111.088 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -76.85 -31.59 56.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.673 0.789 . . . . 74.409999999999997 112.138 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.78 113.22 30.57 Favored Pre-proline 0 N--CA 1.483 1.2 0 C-N-CA 123.703 0.801 . . . . 73.129999999999995 111.732 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.98 163.21 34.71 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.631 2.221 . . . . 73.420000000000002 111.834 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.02 -40.14 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.943 0.497 . . . . 72.129999999999995 112.267 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.68 -51.11 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 C-N-CA 123.027 0.531 . . . . 63.439999999999998 111.517 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.11 -35.15 76.26 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.891 0.876 . . . . 73.099999999999994 111.619 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CZ ' HG23 ' A' ' 65' ' ' ILE . 28.0 t80 -74.73 -32.75 62.21 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.667 -0.697 . . . . 71.230000000000004 111.793 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -46.12 89.83 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.879 0.472 . . . . 70.310000000000002 110.076 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.61 -46.63 89.02 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.081 0.952 . . . . 72.140000000000001 111.237 172.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.443 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 1.7 tpt -60.98 -39.23 88.81 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.54 0.736 . . . . 75.109999999999999 111.953 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 47.2 ttp -76.61 -30.52 56.96 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.526 1.131 . . . . 71.319999999999993 111.807 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 m -64.03 -34.0 77.03 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.032 0.533 . . . . 73.420000000000002 111.612 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -87.87 -52.57 5.21 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.296 0.638 . . . . 72.25 109.782 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.73 111.94 23.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 73.319999999999993 111.013 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -81.1 114.4 19.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.205 0.602 . . . . 74.420000000000002 110.725 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -101.1 170.14 8.47 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.297 0.639 . . . . 75.409999999999997 111.212 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -85.09 158.85 20.31 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.039 0.536 . . . . 73.420000000000002 110.494 172.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.48 -34.73 78.96 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.779 0.432 . . . . 75.5 111.88 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.35 71.21 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.305 0.642 . . . . 70.239999999999995 111.538 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.9 -54.14 35.44 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.963 0.505 . . . . 72.109999999999999 110.678 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.51 -33.15 67.75 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.972 0.909 . . . . 75.120000000000005 112.359 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.538 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -57.46 -58.7 7.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.507 0.723 . . . . 74.099999999999994 111.184 174.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.577 HD22 HD11 ' A' ' 31' ' ' LEU . 45.9 tp -66.29 -39.2 89.2 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.831 -0.622 . . . . 73.239999999999995 111.924 -177.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG23 ' CZ ' ' A' ' 48' ' ' PHE . 69.3 mt -54.71 -46.61 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.795 0.838 . . . . 64.439999999999998 111.664 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.538 HH21 ' HA ' ' A' ' 63' ' ' ALA . 84.9 mtm180 -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.478 -0.328 . . . . 74.239999999999995 111.534 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -62.16 -44.57 96.32 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.291 0.636 . . . . 73.5 111.936 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.66 -41.84 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.238 1.015 . . . . 62.5 111.279 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -73.67 -31.05 63.27 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 112.398 0.518 . . . . 73.219999999999999 112.398 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 45.4 mtm105 -64.22 -45.25 89.06 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.098 0.475 . . . . 71.349999999999994 110.266 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 . . . . . 0 N--CA 1.485 1.307 0 C-N-CA 124.498 1.119 . . . . 74.209999999999994 111.64 174.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.2 0.524 . . . . 74.140000000000001 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -81.22 175.91 10.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.089 0.956 . . . . 73.030000000000001 111.061 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -49.92 -51.38 41.37 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.901 0.88 . . . . 71.230000000000004 112.291 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -61.75 -44.27 97.22 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.881 1.272 . . . . 72.109999999999999 112.636 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.45 -34.69 74.37 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.304 0.641 . . . . 73.129999999999995 112.215 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.58 -33.1 66.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.486 0.715 . . . . 73.120000000000005 111.629 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -71.1 -35.58 71.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.417 0.687 . . . . 73.010000000000005 110.837 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.78 95.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.802 0.841 . . . . 73.340000000000003 110.983 174.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.77 -40.34 79.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.583 0.753 . . . . 75.299999999999997 111.481 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.16 94.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.765 0.826 . . . . 74.019999999999996 112.677 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.64 -5.09 52.22 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.362 0.665 . . . . 74.239999999999995 112.245 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m80 61.84 58.76 1.87 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.245 1.018 . . . . 75.129999999999995 112.046 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.617 HG21 ' H ' ' A' ' 35' ' ' PHE . 28.8 mm -70.48 130.8 88.72 Favored Pre-proline 0 CA--C 1.561 1.402 0 CA-C-N 115.371 -0.831 . . . . 75.420000000000002 109.774 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -55.98 -23.8 45.18 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.096 2.531 . . . . 72.219999999999999 114.451 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.617 ' H ' HG21 ' A' ' 33' ' ' ILE . 37.5 m-85 -113.69 161.35 28.02 Favored Pre-proline 0 CA--C 1.563 1.448 0 C-N-CA 123.967 0.907 . . . . 74.219999999999999 112.259 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.86 165.25 31.71 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.831 2.354 . . . . 74.329999999999998 111.975 162.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.65 -42.32 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 122.814 0.446 . . . . 72.040000000000006 111.778 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.64 -35.66 31.63 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.994 0.918 . . . . 75.319999999999993 112.058 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HE3' HD12 ' A' ' 43' ' ' LEU . 59.0 tptt -62.29 -51.95 65.66 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.862 0.865 . . . . 74.040000000000006 111.409 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -36.7 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 123.109 0.563 . . . . 75.099999999999994 110.996 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.5 -44.55 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.311 0.645 . . . . 71.319999999999993 111.458 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.19 -41.41 49.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.134 0.574 . . . . 75.450000000000003 112.003 -173.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.576 HD12 ' HE3' ' A' ' 39' ' ' LYS . 90.7 mt -64.98 112.71 8.74 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 123.442 0.697 . . . . 71.099999999999994 111.778 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.1 151.49 81.54 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.367 2.045 . . . . 63.549999999999997 111.304 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -39.1 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 123.719 0.808 . . . . 73.040000000000006 112.767 -170.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -59.61 -53.34 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.11 0.564 . . . . 73.129999999999995 112.268 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.96 -35.98 77.38 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.39 0.676 . . . . 74.010000000000005 111.876 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -68.98 -35.55 76.84 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.035 -0.53 . . . . 74.349999999999994 111.23 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -38.29 82.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.094 0.557 . . . . 75.209999999999994 111.671 175.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.4 -41.97 75.7 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.79 0.436 . . . . 63.43 111.248 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.9 ttm -59.38 -42.88 92.72 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.555 0.742 . . . . 73.099999999999994 111.354 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.8 ttp -72.94 -29.72 63.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.986 1.315 . . . . 74.129999999999995 111.792 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.3 t -69.88 -37.78 76.14 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.519 0.727 . . . . 71.519999999999996 111.453 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 9.2 mtmp? -77.43 -52.94 8.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.706 0.765 . . . . 75.329999999999998 110.049 174.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -105.9 80.19 1.5 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.582 -1.19 . . . . 64.239999999999995 109.258 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.5 104.31 2.29 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.745 -0.662 . . . . 72.109999999999999 110.965 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.69 166.08 23.93 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.522 0.729 . . . . 74.510000000000005 111.041 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.81 152.52 45.2 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.045 0.538 . . . . 74.540000000000006 109.98 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.01 -30.04 70.06 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.062 0.764 . . . . 70.319999999999993 113.062 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.31 67.17 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.443 0.697 . . . . 72.140000000000001 111.377 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.32 -44.2 97.06 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.488 0.715 . . . . 73.329999999999998 111.3 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.11 -35.49 80.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.153 0.981 . . . . 72.120000000000005 111.53 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.4 80.07 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.363 0.665 . . . . 70.450000000000003 112.12 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -67.57 -41.4 84.21 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.985 0.514 . . . . 74.200000000000003 110.765 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.53 -38.56 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 C-N-CA 123.627 0.771 . . . . 73.120000000000005 111.53 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.68 -51.09 68.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.116 0.484 . . . . 74.209999999999994 110.072 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.5 -50.74 70.9 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 114.597 -1.183 . . . . 71.219999999999999 111.625 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.5 -39.53 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 C-N-CA 123.933 0.893 . . . . 73.510000000000005 112.049 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -71.95 -48.33 46.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.463 0.705 . . . . 75.329999999999998 112.12 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.07 -29.07 69.93 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.522 0.729 . . . . 75.409999999999997 111.753 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 . . . . . 0 CA--C 1.549 0.914 0 C-N-CA 123.338 0.655 . . . . 72.430000000000007 111.724 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.314 0.578 . . . . 72.439999999999998 110.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.3 p -82.77 177.92 8.43 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.551 0.74 . . . . 74.519999999999996 110.663 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -54.87 -42.37 71.95 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.427 0.691 . . . . 75.230000000000004 112.114 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.2 m-20 -76.25 -34.44 59.17 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.043 0.537 . . . . 65.040000000000006 112.296 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.47 -28.26 68.19 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.291 0.567 . . . . 71.409999999999997 111.101 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 22' ' ' THR . 79.1 mt -67.56 -43.79 79.78 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.608 -0.724 . . . . 73.310000000000002 111.66 172.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.7 ptp180 -66.77 -34.8 78.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 122.245 0.218 . . . . 75.129999999999995 110.801 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.33 98.2 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.3 0.64 . . . . 70.140000000000001 111.676 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.82 -36.01 79.9 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.714 0.806 . . . . 70.129999999999995 111.866 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.74 77.14 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.014 0.926 . . . . 73.099999999999994 113.235 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD12 HD22 ' A' ' 64' ' ' LEU . 80.0 mt -108.73 9.26 27.03 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.34 0.656 . . . . 74.299999999999997 112.272 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.7 t60 57.61 59.03 3.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.444 1.098 . . . . 72.329999999999998 112.452 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.523 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.1 mm -69.84 128.1 92.07 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 109.212 -0.662 . . . . 75.439999999999998 109.212 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.23 -1.26 6.87 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.67 2.247 . . . . 73.439999999999998 114.086 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.523 ' H ' HG22 ' A' ' 33' ' ' ILE . 21.7 m-85 -128.03 155.7 77.4 Favored Pre-proline 0 CA--C 1.56 1.355 0 C-N-CA 124.307 1.043 . . . . 70.319999999999993 110.239 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.97 158.16 46.34 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.154 1.902 . . . . 74.0 112.429 165.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG11 HG21 ' A' ' 68' ' ' ILE . 47.8 t -58.44 -40.73 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 C-N-CA 123.999 0.919 . . . . 72.120000000000005 112.001 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -51.18 -36.15 39.75 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.889 0.876 . . . . 74.329999999999998 111.966 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 87.8 tttt -78.57 -38.3 40.57 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.849 0.685 . . . . 63.200000000000003 112.849 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.58 -34.45 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 CA-C-N 118.962 0.801 . . . . 74.209999999999994 110.159 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.24 -30.86 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.552 0.741 . . . . 73.519999999999996 111.551 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -79.03 -22.43 45.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.898 0.479 . . . . 75.140000000000001 111.185 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.04 115.07 65.33 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.927 0.891 . . . . 64.0 109.989 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 13.7 Cg_exo -67.51 168.34 18.37 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.53 2.153 . . . . 72.310000000000002 112.257 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 HG22 ' HD2' ' A' ' 69' ' ' ARG . 58.5 t -60.84 -39.33 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 122.637 0.375 . . . . 75.430000000000007 111.441 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.7 -51.41 73.13 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.39 0 CA-C-O 121.239 0.543 . . . . 75.510000000000005 111.677 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.9 m-20 -76.21 -34.14 59.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.909 0.883 . . . . 71.340000000000003 112.272 -174.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -74.82 -38.17 62.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.359 0.664 . . . . 71.140000000000001 111.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.83 -28.32 67.46 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.649 0.38 . . . . 73.519999999999996 111.032 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -46.93 80.53 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.361 0.664 . . . . 73.510000000000005 109.475 171.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 tpt -58.58 -38.67 78.42 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.735 0.814 . . . . 62.030000000000001 111.594 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.0 ttt -72.02 -33.75 68.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.351 0.661 . . . . 75.409999999999997 111.815 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -59.79 -40.09 87.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.027 0.531 . . . . 73.040000000000006 110.757 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -72.99 -55.68 6.2 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.09 -0.504 . . . . 74.140000000000001 111.18 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -123.9 97.0 5.16 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.77 0.828 . . . . 75.420000000000002 110.722 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.564 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.48 136.63 44.19 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.771 0.828 . . . . 72.200000000000003 110.506 -179.375 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -89.56 172.06 9.24 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.247 0.619 . . . . 72.219999999999999 110.399 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -70.02 156.96 38.39 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.973 0.509 . . . . 71.299999999999997 110.392 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.79 -40.52 76.07 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.466 0.706 . . . . 72.439999999999998 112.787 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.52 -36.42 68.32 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.67 0.788 . . . . 54.530000000000001 111.351 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.91 -46.54 84.35 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.063 0.545 . . . . 72.010000000000005 111.249 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.94 -41.46 96.31 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.861 0.865 . . . . 74.129999999999995 111.632 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -46.39 89.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.688 0.795 . . . . 52.119999999999997 111.246 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 HD22 HD12 ' A' ' 31' ' ' LEU . 39.4 tp -63.5 -41.34 98.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.273 -0.876 . . . . 74.209999999999994 112.458 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -32.39 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 124.062 0.945 . . . . 73.329999999999998 111.738 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -67.14 -42.06 85.02 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.196 0.599 . . . . 71.409999999999997 110.927 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -68.21 -29.75 68.66 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.356 1.062 . . . . 73.439999999999998 111.479 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.774 HG21 HG11 ' A' ' 37' ' ' VAL . 42.8 mt -74.66 -39.82 46.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.33 0 C-N-CA 124.017 0.927 . . . . 70.519999999999996 111.051 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 45' ' ' VAL . 58.6 ttp180 -73.06 -36.73 66.94 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.887 0.875 . . . . 72.109999999999999 112.698 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -23.69 67.47 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.819 0.448 . . . . 73.400000000000006 112.077 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? . . . . . 0 CA--C 1.559 1.308 0 C-N-CA 123.963 0.905 . . . . 75.150000000000006 109.93 174.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 113.532 0.938 . . . . 75.25 113.532 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -70.3 175.23 4.81 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.539 0.736 . . . . 74.299999999999997 111.827 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' H ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -64.73 -33.98 77.25 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.085 0.469 . . . . 75.420000000000002 109.99 176.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 18.2 m-20 -68.27 -35.79 78.42 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.904 0.882 . . . . 74.409999999999997 111.981 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.84 -35.19 77.54 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.462 0.705 . . . . 74.010000000000005 111.109 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.53 -36.41 76.36 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.567 0.747 . . . . 72.129999999999995 111.747 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.506 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 77.2 mtp180 -67.89 -34.61 76.99 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.62 0.768 . . . . 75.200000000000003 110.668 174.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.99 78.68 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.804 0.842 . . . . 74.25 110.975 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.6 -44.56 96.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.761 0.824 . . . . 75.409999999999997 111.361 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.13 76.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.831 0.852 . . . . 60.399999999999999 112.162 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.04 -6.96 40.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.61 0.764 . . . . 75.409999999999997 112.186 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.8 m80 61.81 58.57 1.93 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.759 1.224 . . . . 75.439999999999998 112.078 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.538 HD13 HD13 ' A' ' 65' ' ' ILE . 23.8 mm -87.71 120.11 70.85 Favored Pre-proline 0 CA--C 1.559 1.317 0 CA-C-N 115.401 -0.818 . . . . 73.209999999999994 109.589 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.65 -37.42 91.19 Favored 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 123.248 2.632 . . . . 73.430000000000007 114.092 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -101.64 139.54 20.46 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 123.881 0.872 . . . . 74.319999999999993 111.064 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.08 164.23 25.88 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.079 2.519 . . . . 71.340000000000003 113.118 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.512 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -60.74 -32.27 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.68 0.792 . . . . 74.140000000000001 111.437 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -52.97 -41.75 64.86 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 123.738 0.815 . . . . 70.239999999999995 111.554 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 mmpt? -73.97 -33.44 63.87 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.327 0.862 . . . . 71.019999999999996 113.327 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 37' ' ' VAL . 3.5 mp -58.56 -40.46 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 119.071 0.85 . . . . 73.25 110.172 173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.57 -38.11 25.5 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 C-N-CA 123.67 0.788 . . . . 74.299999999999997 112.316 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -77.95 -40.46 39.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 112.956 0.725 . . . . 74.299999999999997 112.956 -173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.2 135.5 96.2 Favored Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 112.517 0.562 . . . . 73.439999999999998 112.517 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -70.76 150.72 62.55 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 123.285 2.657 . . . . 75.0 113.037 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.01 -53.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 114.084 1.142 . . . . 63.420000000000002 114.084 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 t -62.18 -54.45 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 111.822 0.304 . . . . 74.450000000000003 111.822 -174.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.69 -34.13 76.5 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.67 0.788 . . . . 75.310000000000002 111.615 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.69 -40.07 76.57 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 115.26 -0.882 . . . . 74.549999999999997 111.746 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.95 -35.33 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.925 0.49 . . . . 63.109999999999999 111.133 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' VAL . 30.2 mm-40 -65.76 -31.97 73.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.199 0.599 . . . . 71.129999999999995 111.763 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.8 ttm -67.96 -44.53 76.51 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.978 0.511 . . . . 74.010000000000005 110.877 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.85 -29.55 64.51 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.827 0.451 . . . . 74.540000000000006 112.091 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 t -70.02 -55.49 9.41 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.533 0.733 . . . . 75.010000000000005 111.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -74.94 -51.37 13.92 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.905 -1.043 . . . . 74.340000000000003 110.098 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.12 81.44 8.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.651 -0.87 . . . . 72.040000000000006 108.651 170.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.52 120.32 13.77 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.911 -0.586 . . . . 74.030000000000001 112.071 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -98.52 162.7 13.01 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.579 0.751 . . . . 73.450000000000003 111.213 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -69.76 161.74 29.2 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.131 0.572 . . . . 72.319999999999993 111.315 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.47 -35.07 71.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.101 0.56 . . . . 75.409999999999997 112.199 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.6 76.42 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.786 0.834 . . . . 75.5 111.667 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.57 -51.08 70.04 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.279 0.631 . . . . 75.409999999999997 111.591 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 66' ' ' ARG . 99.1 mt -62.71 -28.16 69.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.197 0.999 . . . . 73.140000000000001 112.974 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.05 85.17 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.123 0.569 . . . . 72.150000000000006 112.258 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.5 tp -76.36 -53.89 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.029 0.531 . . . . 70.420000000000002 110.96 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.538 HD13 HD13 ' A' ' 33' ' ' ILE . 79.9 mt -52.83 -54.49 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.647 1.179 . . . . 74.239999999999995 112.478 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.54 ' HD3' ' HB3' ' A' ' 62' ' ' LEU . 11.3 mtp180 -69.76 -35.46 74.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.081 0.952 . . . . 74.530000000000001 112.863 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.65 -34.93 70.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.153 0.581 . . . . 73.219999999999999 112.455 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 HG21 HG12 ' A' ' 37' ' ' VAL . 62.3 mt -70.42 -30.02 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.714 0.406 . . . . 75.120000000000005 110.178 171.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -72.41 -29.51 63.79 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.318 0.647 . . . . 72.450000000000003 111.711 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 39.1 mmt180 -63.96 -44.38 92.94 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.876 0.47 . . . . 74.239999999999995 111.614 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 . . . . . 0 N--CA 1.485 1.308 0 C-N-CA 123.092 0.557 . . . . 72.329999999999998 111.28 176.478 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 114.272 1.212 . . . . 72.219999999999999 114.272 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 69.7 p -76.97 166.96 22.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.704 -1.134 . . . . 75.299999999999997 109.954 166.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.36 -23.24 67.22 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.482 0.313 . . . . 74.409999999999997 111.063 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.49 -35.12 79.95 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 123.278 0.631 . . . . 71.120000000000005 111.667 170.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 37' ' ' VAL . 35.3 mt-10 -76.38 -34.86 58.87 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.623 0.369 . . . . 71.510000000000005 111.764 173.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 22' ' ' THR . 85.5 mt -66.95 -42.64 84.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.282 0.633 . . . . 72.25 111.892 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -68.02 -30.45 69.69 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.268 0.627 . . . . 75.340000000000003 111.257 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HA ' HD22 ' A' ' 64' ' ' LEU . . . -64.65 -31.39 72.59 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.719 0.808 . . . . 64.540000000000006 112.529 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.39 -31.65 72.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.259 0.623 . . . . 71.200000000000003 111.829 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.86 93.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.723 0.809 . . . . 73.519999999999996 112.601 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 64' ' ' LEU . 82.3 mt -100.25 -2.03 34.83 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.459 0.704 . . . . 63.210000000000001 112.665 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 60.17 60.98 1.93 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.045 0.938 . . . . 73.439999999999998 111.734 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.14 122.88 85.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 122.891 0.476 . . . . 75.140000000000001 111.052 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -80.64 1.29 9.41 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.155 2.57 . . . . 64.319999999999993 114.896 -174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -114.61 155.43 46.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 C-N-CA 123.109 0.563 . . . . 74.120000000000005 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.05 131.61 44.5 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.015 1.81 . . . . 72.319999999999993 111.114 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 25' ' ' GLU . 79.7 t -62.22 -35.34 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.177 0.591 . . . . 72.200000000000003 111.512 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.24 -49.41 69.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.598 0.759 . . . . 70.109999999999999 111.288 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.11 -34.0 72.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.773 0.829 . . . . 74.129999999999995 111.841 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.86 -39.75 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 C-N-CA 122.917 0.487 . . . . 71.25 111.32 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.15 -29.32 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 123.062 0.545 . . . . 64.340000000000003 111.004 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -39.94 18.76 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.506 0.722 . . . . 72.409999999999997 112.531 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.0 126.6 81.78 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 122.896 0.478 . . . . 70.510000000000005 111.24 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -62.92 149.71 90.68 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.661 2.241 . . . . 72.0 111.697 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.57 -43.28 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 123.41 0.684 . . . . 75.530000000000001 111.816 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.98 -45.64 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.512 0.725 . . . . 72.239999999999995 112.463 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -73.1 -33.8 65.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.395 0.678 . . . . 71.129999999999995 111.391 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.76 -35.14 80.11 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.842 0.857 . . . . 74.109999999999999 110.696 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -64.2 -28.32 69.67 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.358 1.063 . . . . 73.129999999999995 112.966 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.32 -43.19 78.11 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.258 0.552 . . . . 71.530000000000001 110.708 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.0 ttp -66.82 -34.48 77.91 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 70.299999999999997 110.997 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.1 -30.81 66.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.719 1.208 . . . . 72.5 111.593 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 t -65.29 -29.69 70.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.088 0.555 . . . . 72.519999999999996 111.131 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -85.83 -49.63 7.75 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.749 0.819 . . . . 75.349999999999994 109.594 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 101.91 12.73 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.998 0.919 . . . . 71.209999999999994 110.017 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -68.97 112.38 5.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.838 0.455 . . . . 75.109999999999999 112.169 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.47 148.51 25.43 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.479 0.712 . . . . 74.409999999999997 109.989 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -72.13 168.4 18.25 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.989 0.516 . . . . 74.010000000000005 111.967 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -48.02 82.41 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.89 1.07 . . . . 74.519999999999996 113.89 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.62 -29.45 56.49 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.097 0.559 . . . . 60.130000000000003 111.423 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -61.52 -42.11 98.32 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.804 0.842 . . . . 74.209999999999994 110.541 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.26 -33.25 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.001 0.92 . . . . 73.239999999999995 111.85 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.38 93.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.246 0.618 . . . . 75.349999999999994 111.788 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 28' ' ' ALA . 45.0 tp -69.06 -47.37 65.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.145 0.578 . . . . 74.319999999999993 111.764 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.9 -47.38 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.198 0.599 . . . . 74.340000000000003 110.69 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -66.35 -33.49 75.84 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.634 1.174 . . . . 73.010000000000005 111.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -44.09 72.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.341 0.656 . . . . 73.540000000000006 110.396 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.495 HG23 HG11 ' A' ' 37' ' ' VAL . 84.1 mt -65.88 -34.47 70.49 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 124.35 1.06 . . . . 74.340000000000003 111.387 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.07 -38.32 88.35 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.927 0.891 . . . . 75.310000000000002 111.205 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -79.43 -22.48 44.15 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.528 0.731 . . . . 73.450000000000003 112.525 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 122.824 0.45 . . . . 71.150000000000006 110.199 174.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.332 0.587 . . . . 73.109999999999999 111.399 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 p -74.19 178.5 5.05 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.464 1.105 . . . . 75.150000000000006 112.144 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -51.93 -42.23 62.65 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.824 0.85 . . . . 75.099999999999994 111.821 171.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.9 m-20 -70.55 -38.46 74.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.661 0.784 . . . . 71.049999999999997 112.361 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.03 -33.04 73.62 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.126 0.57 . . . . 65.420000000000002 111.305 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -74.93 -30.0 61.12 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.295 0.638 . . . . 75.310000000000002 111.918 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 79.0 mtp180 -66.75 -45.47 78.48 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.311 0.644 . . . . 72.5 110.418 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.81 98.58 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.06 0.944 . . . . 74.420000000000002 111.301 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -56.83 -49.26 75.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.11 0.964 . . . . 65.140000000000001 111.912 173.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.65 88.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.855 0.862 . . . . 63.32 112.832 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.91 -4.0 33.9 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.402 0.519 . . . . 74.140000000000001 112.402 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 65.32 60.55 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.489 1.116 . . . . 74.239999999999995 112.599 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' H ' ' A' ' 35' ' ' PHE . 42.4 mm -80.0 129.04 71.74 Favored Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 123.449 0.7 . . . . 74.299999999999997 109.495 173.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.78 -10.59 26.66 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.536 2.157 . . . . 65.209999999999994 114.022 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' H ' HG23 ' A' ' 33' ' ' ILE . 49.4 m-85 -108.16 155.72 39.66 Favored Pre-proline 0 N--CA 1.485 1.322 0 C-N-CA 123.702 0.801 . . . . 61.109999999999999 110.995 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.87 153.62 58.54 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.833 1.689 . . . . 74.409999999999997 110.928 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG11 HG22 ' A' ' 68' ' ' ILE . 46.2 t -57.57 -29.14 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 123.735 0.814 . . . . 75.549999999999997 112.848 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -49.29 -46.39 46.43 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.395 1.078 . . . . 73.109999999999999 112.021 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -41.64 93.03 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.244 0.617 . . . . 75.140000000000001 112.271 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.67 -29.86 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.525 0 C-N-CA 122.768 0.427 . . . . 74.310000000000002 110.594 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.43 -46.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 123.418 0.687 . . . . 72.209999999999994 111.787 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -82.16 -53.09 6.36 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.392 0.677 . . . . 65.150000000000006 112.047 -170.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.43 120.02 40.98 Favored Pre-proline 0 N--CA 1.493 1.68 0 C-N-CA 122.973 0.509 . . . . 73.519999999999996 111.562 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.83 160.42 48.44 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.539 2.159 . . . . 64.140000000000001 112.844 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.03 -38.52 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.618 0.767 . . . . 75.340000000000003 112.726 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.58 -49.67 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 123.08 0.552 . . . . 74.120000000000005 111.635 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.53 -34.73 78.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.574 0.75 . . . . 74.230000000000004 111.638 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.85 -34.36 66.73 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.988 -0.551 . . . . 74.010000000000005 111.812 -175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.08 -40.46 95.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.071 0.549 . . . . 73.030000000000001 110.991 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.54 -35.95 70.82 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.766 0.826 . . . . 74.040000000000006 111.528 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 tpp -66.69 -39.13 87.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.604 0.762 . . . . 75.530000000000001 111.169 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.4 ttp -71.65 -29.71 64.93 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.006 1.323 . . . . 72.319999999999993 111.251 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -63.74 -32.61 74.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.504 0.722 . . . . 72.430000000000007 111.72 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.36 -53.94 5.62 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.343 0.657 . . . . 74.129999999999995 110.967 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.69 87.66 4.76 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 70.420000000000002 109.255 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.99 95.81 0.98 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.425 0.69 . . . . 73.420000000000002 111.248 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -78.04 162.38 26.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.583 0.753 . . . . 75.530000000000001 112.027 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -84.01 159.99 21.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.69 0.796 . . . . 74.420000000000002 110.937 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.42 -38.15 58.39 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 114.301 1.223 . . . . 64.450000000000003 114.301 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.25 66.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.254 0.621 . . . . 75.549999999999997 111.534 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.21 -38.86 80.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.648 0.779 . . . . 71.519999999999996 111.585 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -37.04 81.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.654 0.782 . . . . 75.150000000000006 111.917 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.26 93.31 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.111 0.564 . . . . 64.430000000000007 111.747 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.77 -54.38 23.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.283 0.633 . . . . 73.510000000000005 111.926 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.9 mt -58.92 -38.64 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.961 0.904 . . . . 75.019999999999996 111.696 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -61.83 -41.97 98.45 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.578 0.751 . . . . 71.549999999999997 111.394 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.2 -55.31 22.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.41 0.684 . . . . 63.219999999999999 111.522 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.597 HG22 HG11 ' A' ' 37' ' ' VAL . 76.1 mt -67.17 -36.23 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.817 0.847 . . . . 64.150000000000006 112.18 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -63.93 -45.2 90.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.321 0.648 . . . . 75.329999999999998 110.71 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -71.5 -22.48 61.79 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 115.631 -0.713 . . . . 72.140000000000001 111.432 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 . . . . . 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 72.200000000000003 110.696 176.402 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 121.078 0.466 . . . . 73.200000000000003 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.0 p -75.97 178.54 6.19 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.051 0.94 . . . . 74.099999999999994 112.616 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.72 -39.96 82.34 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.466 0.65 . . . . 74.310000000000002 110.775 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.55 -29.94 67.63 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.382 -0.826 . . . . 74.340000000000003 112.311 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.64 -26.8 68.81 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 122.885 0.474 . . . . 62.310000000000002 112.033 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.41 -51.33 37.47 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 122.875 0.47 . . . . 74.430000000000007 111.146 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -73.57 -30.75 63.23 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.639 0.776 . . . . 75.010000000000005 112.131 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -69.85 -49.03 56.43 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.601 0.76 . . . . 71.329999999999998 111.049 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.619 ' HB2' ' HZ3' ' A' ' 29' ' ' LYS . 2.8 ttmp? -68.47 -24.04 64.65 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.891 0.876 . . . . 70.239999999999995 111.281 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -44.45 68.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.495 0.718 . . . . 71.230000000000004 111.786 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 64' ' ' LEU . 62.7 mt -83.52 -4.38 58.48 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 123.197 0.599 . . . . 73.219999999999999 111.949 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.13 58.75 0.55 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.19 1.396 . . . . 72.040000000000006 112.456 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.447 HG23 ' H ' ' A' ' 35' ' ' PHE . 36.6 mm -70.04 123.72 89.31 Favored Pre-proline 0 CA--C 1.565 1.533 0 C-N-CA 123.325 0.65 . . . . 73.120000000000005 109.559 170.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.72 -16.41 37.1 Favored 'Trans proline' 0 N--CA 1.506 2.24 0 C-N-CA 123.529 2.819 . . . . 74.129999999999995 114.839 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.447 ' H ' HG23 ' A' ' 33' ' ' ILE . 88.9 m-85 -115.43 164.86 15.8 Favored Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.156 0.983 . . . . 72.310000000000002 111.49 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.07 157.36 53.72 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.332 2.021 . . . . 75.120000000000005 111.983 160.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.38 -48.88 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 124.152 0.981 . . . . 73.319999999999993 112.916 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 47.2 tt0 -68.97 -17.16 63.9 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 112.525 0.565 . . . . 73.340000000000003 112.525 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.44 -38.31 87.11 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.903 0.481 . . . . 75.430000000000007 110.059 173.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.01 -42.97 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.893 0.877 . . . . 74.200000000000003 110.044 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.2 mt -60.77 -41.85 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.818 0.847 . . . . 72.409999999999997 112.223 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -40.42 61.09 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 74.010000000000005 110.131 -169.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -73.21 115.56 42.07 Favored Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 123.453 0.701 . . . . 62.32 111.068 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.75 156.29 33.38 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.983 2.455 . . . . 74.340000000000003 112.116 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 78.2 t -56.77 -41.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 64.200000000000003 112.988 -171.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.12 -45.24 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.024 0.53 . . . . 64.420000000000002 111.294 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.05 -39.71 78.98 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.96 0.904 . . . . 71.219999999999999 112.349 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.71 -39.61 61.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 74.400000000000006 111.261 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 7.1 m-20 -69.52 -27.24 65.01 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 73.109999999999999 111.769 176.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.5 -46.02 84.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.373 0.669 . . . . 44.329999999999998 110.332 169.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.1 ttm -64.79 -46.13 83.37 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.562 0.745 . . . . 73.530000000000001 111.132 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.504 ' HE2' ' HG3' ' A' ' 56' ' ' GLN . 1.5 tmt? -63.47 -27.0 68.98 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.571 1.148 . . . . 75.310000000000002 112.652 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -62.8 -24.37 67.71 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.428 0.529 . . . . 74.409999999999997 112.428 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -111.52 -52.94 2.75 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.263 0.625 . . . . 74.230000000000004 110.441 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -91.02 77.5 6.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.641 0.776 . . . . 74.5 110.095 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.504 ' HG3' ' HE2' ' A' ' 52' ' ' MET . 29.6 tt0 -78.99 135.15 36.83 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.803 -0.635 . . . . 74.0 111.014 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -92.2 173.18 7.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.46 0.704 . . . . 75.310000000000002 109.985 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -70.22 155.21 40.96 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.479 0.312 . . . . 74.120000000000005 110.376 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.41 71.09 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.708 1.003 . . . . 73.519999999999996 113.708 -171.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.08 60.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.362 0.665 . . . . 73.430000000000007 111.752 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -62.84 -40.08 96.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.675 . . . . 72.209999999999994 111.329 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.37 -43.56 90.38 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.614 0.766 . . . . 73.219999999999999 111.422 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.7 87.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.684 0.794 . . . . 74.230000000000004 111.458 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 31' ' ' LEU . 36.6 tp -65.25 -44.9 86.66 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.527 -0.76 . . . . 73.400000000000006 112.207 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -57.77 -46.65 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.602 1.161 . . . . 72.109999999999999 112.574 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -64.17 -37.2 86.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.053 -0.522 . . . . 74.349999999999994 110.941 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.1 -43.86 94.08 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.283 0.633 . . . . 71.349999999999994 111.273 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -40.31 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 124.435 1.094 . . . . 73.439999999999998 111.548 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH1' ' HA ' ' A' ' 45' ' ' VAL . 85.8 mtm180 -72.95 -29.36 63.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.267 0.627 . . . . 74.439999999999998 112.393 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.59 -35.62 81.34 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.274 0.63 . . . . 72.519999999999996 111.266 171.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 C-N-CA 123.267 0.627 . . . . 73.510000000000005 110.558 172.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 CA--C 1.561 1.385 0 N-CA-C 115.023 1.49 . . . . 71.239999999999995 115.023 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -71.33 173.04 8.32 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 115.277 -0.874 . . . . 74.030000000000001 110.553 165.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -66.1 -23.78 66.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 122.083 -0.386 . . . . 74.099999999999994 112.036 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.88 -40.51 75.65 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.112 0.565 . . . . 72.200000000000003 111.058 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 34.5 mt-10 -72.0 -33.95 68.5 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.703 0.801 . . . . 71.450000000000003 112.744 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.86 -46.63 88.61 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.998 0.519 . . . . 74.450000000000003 111.846 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -73.73 -29.34 62.19 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.159 0.584 . . . . 75.219999999999999 112.036 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.44 91.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.592 0.357 . . . . 65.120000000000005 111.4 172.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 32.0 mmmt -70.63 -38.05 73.87 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.998 0.519 . . . . 73.519999999999996 111.105 176.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.522 0.729 . . . . 73.540000000000006 112.37 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 64' ' ' LEU . 85.8 mt -96.05 -0.55 50.26 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 113.149 0.796 . . . . 70.340000000000003 113.149 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.55 58.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.964 0.906 . . . . 75.439999999999998 112.459 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -79.4 114.41 44.93 Favored Pre-proline 0 CA--C 1.562 1.428 0 N-CA-C 109.13 -0.692 . . . . 74.310000000000002 109.13 170.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 -19.29 27.36 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.76 2.307 . . . . 53.549999999999997 114.135 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -93.75 159.78 34.0 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.604 0.762 . . . . 75.200000000000003 111.452 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.85 154.34 66.97 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.162 1.908 . . . . 73.530000000000001 111.066 161.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.88 -30.98 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 123.199 0.599 . . . . 75.420000000000002 111.483 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.66 -35.75 77.0 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.23 1.012 . . . . 71.209999999999994 111.777 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -61.39 -50.49 72.64 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.765 0.426 . . . . 74.340000000000003 111.48 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.94 -38.98 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.048 0.539 . . . . 73.540000000000006 110.562 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.31 -53.44 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 123.338 0.655 . . . . 75.430000000000007 111.152 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.94 -5.07 49.95 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.627 0.973 . . . . 73.200000000000003 113.627 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -112.99 95.65 35.18 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 123.206 0.602 . . . . 73.409999999999997 110.422 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 52.9 Cg_exo -57.11 153.72 37.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.445 2.096 . . . . 65.420000000000002 111.392 168.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -47.68 -41.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 C-N-CA 124.079 0.951 . . . . 75.540000000000006 113.472 -170.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.47 -42.24 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 123.313 0.645 . . . . 72.239999999999995 111.557 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.37 -30.22 61.88 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.986 0.914 . . . . 65.099999999999994 111.836 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -72.39 -34.4 67.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.946 0.899 . . . . 71.150000000000006 109.776 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.531 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -62.62 -27.13 69.0 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.811 0.844 . . . . 73.109999999999999 112.563 174.669 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.49 -47.71 81.18 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.177 0.513 . . . . 73.540000000000006 110.554 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.6 tpt -69.45 -44.3 71.55 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.313 0.645 . . . . 74.319999999999993 111.451 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.531 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 23.7 ttt -65.75 -36.84 84.7 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 124.282 1.033 . . . . 73.329999999999998 113.169 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -58.25 -24.62 59.94 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.718 1.006 . . . . 65.439999999999998 113.718 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.09 -41.38 25.68 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 113.139 0.792 . . . . 72.400000000000006 113.139 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -132.16 -36.05 1.17 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 113.04 0.755 . . . . 75.140000000000001 113.04 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.04 172.79 0.23 Allowed 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 125.143 1.377 . . . . 75.010000000000005 113.286 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -127.55 171.29 11.75 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.381 1.072 . . . . 73.420000000000002 109.739 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.412 HD21 ' NE2' ' A' ' 61' ' ' GLN . 37.0 m-80 -70.65 153.53 42.75 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 122.93 0.492 . . . . 74.5 110.954 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.93 -28.15 69.33 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.342 0.868 . . . . 75.109999999999999 113.342 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -71.4 -39.71 70.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.9 0.48 . . . . 63.299999999999997 111.424 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' NE2' HD21 ' A' ' 58' ' ' ASN . 81.4 mt-30 -63.14 -54.49 36.93 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.414 0.686 . . . . 74.439999999999998 110.879 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.99 -38.04 64.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.458 1.103 . . . . 73.430000000000007 112.748 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.94 -56.47 18.82 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 75.430000000000007 111.218 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 31' ' ' LEU . 47.9 tp -60.73 -39.25 87.96 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.472 0.709 . . . . 75.519999999999996 112.9 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.43 -37.56 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.089 0.956 . . . . 74.400000000000006 111.28 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.99 -39.51 83.25 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.737 0.415 . . . . 73.209999999999994 111.854 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.93 -49.32 75.22 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.238 0.615 . . . . 75.450000000000003 111.654 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.46 -37.48 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.599 0.759 . . . . 75.25 111.668 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.662 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -72.06 -35.06 69.19 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.354 0.662 . . . . 74.049999999999997 110.768 178.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -71.37 -32.78 68.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.938 0.895 . . . . 72.230000000000004 111.321 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 CA--C 1.558 1.279 0 C-N-CA 123.737 0.815 . . . . 75.5 109.611 175.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 113.409 0.892 . . . . 75.230000000000004 113.409 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 ' HG2' ' A' ' 25' ' ' GLU . 15.4 t -81.52 178.25 8.47 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.872 0.469 . . . . 73.510000000000005 111.131 172.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -56.79 -36.1 69.49 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.41 0.624 . . . . 73.049999999999997 111.4 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' HB3' HG23 ' A' ' 37' ' ' VAL . 6.2 m-20 -69.48 -37.51 77.3 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.037 -0.983 . . . . 70.129999999999995 112.307 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HG2' HG21 ' A' ' 22' ' ' THR . 65.7 mm-40 -66.12 -31.73 72.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 122.148 -0.345 . . . . 74.239999999999995 111.439 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.13 -50.54 65.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.575 0.75 . . . . 72.010000000000005 111.623 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.51 -30.39 68.23 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.164 0.586 . . . . 73.230000000000004 111.881 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.21 0.604 . . . . 72.25 111.405 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.66 -41.51 92.44 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.188 0.595 . . . . 65.5 111.069 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.89 94.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.739 0.816 . . . . 72.329999999999998 112.507 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.586 HD12 HD22 ' A' ' 64' ' ' LEU . 93.5 mt -90.35 -11.96 39.09 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.086 0.554 . . . . 74.310000000000002 112.172 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m80 69.22 58.89 0.34 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.97 1.308 . . . . 75.319999999999993 113.015 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.553 HG22 HD13 ' A' ' 40' ' ' ILE . 12.9 mm -78.06 126.65 83.38 Favored Pre-proline 0 CA--C 1.567 1.631 0 N-CA-C 109.637 -0.505 . . . . 71.439999999999998 109.637 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -56.06 -20.9 32.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.525 2.817 . . . . 71.400000000000006 115.406 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -128.3 147.24 62.83 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 123.828 0.851 . . . . 74.340000000000003 110.804 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.9 162.37 42.39 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.708 2.272 . . . . 61.140000000000001 112.69 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.536 HG23 ' HB3' ' A' ' 24' ' ' ASP . 88.2 t -61.53 -31.8 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.624 0.77 . . . . 72.299999999999997 112.37 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.59 -47.22 49.57 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.878 0.471 . . . . 74.239999999999995 110.862 168.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -69.11 -36.61 77.71 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 113.261 0.837 . . . . 75.129999999999995 113.261 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 33' ' ' ILE . 3.5 mp -59.14 -34.51 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 CA-C-N 119.022 0.828 . . . . 74.219999999999999 110.998 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -83.72 -46.13 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.369 0 C-N-CA 123.124 0.57 . . . . 74.430000000000007 111.713 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -76.81 -39.17 52.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.544 0.737 . . . . 70.329999999999998 112.647 -166.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.92 110.85 3.33 Favored Pre-proline 0 CA--C 1.56 1.35 0 C-N-CA 123.35 0.66 . . . . 74.120000000000005 110.788 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.42 157.84 48.4 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.912 2.408 . . . . 64.430000000000007 113.169 -175.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.14 -49.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.827 1.251 . . . . 74.329999999999998 114.124 -169.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.62 -58.65 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.496 0.318 . . . . 74.349999999999994 111.603 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.87 -35.7 71.33 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.907 0.883 . . . . 74.400000000000006 112.847 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.31 -56.23 5.12 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.646 1.178 . . . . 75.329999999999998 111.556 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.56 -29.49 65.95 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.848 0.685 . . . . 75.310000000000002 112.848 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -25.82 60.73 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.067 0.547 . . . . 74.5 112.086 173.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -74.29 -42.79 58.95 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.6 0.714 . . . . 73.010000000000005 110.489 172.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' HD11 ' A' ' 65' ' ' ILE . 50.7 mtm -78.19 -8.7 58.63 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 113.861 1.06 . . . . 64.530000000000001 113.861 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -53.29 -42.08 66.25 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 114.783 1.401 . . . . 74.040000000000006 114.783 -167.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.12 -32.31 70.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.169 0.587 . . . . 73.329999999999998 112.012 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.94 82.67 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.345 1.458 . . . . 73.239999999999995 112.916 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.64 9.18 30.74 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.445 0.698 . . . . 64.209999999999994 110.877 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.61 166.46 15.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.39 1.076 . . . . 74.239999999999995 111.183 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.406 HD21 ' NE2' ' A' ' 61' ' ' GLN . 34.3 m-80 -95.13 169.38 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.257 0.623 . . . . 61.32 111.195 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -39.32 66.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.935 0.894 . . . . 74.510000000000005 113.185 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.33 -34.39 61.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.524 0.73 . . . . 73.420000000000002 111.711 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 58' ' ' ASN . 81.4 mt-30 -65.54 -47.44 75.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.437 0.695 . . . . 74.019999999999996 111.482 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.1 -48.79 80.32 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.201 0.6 . . . . 73.519999999999996 110.89 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.14 71.22 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.537 0.735 . . . . 70.0 112.453 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 31' ' ' LEU . 28.9 tp -66.93 -42.05 86.01 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.91 0.484 . . . . 71.340000000000003 111.985 177.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.535 HD11 ' SD ' ' A' ' 52' ' ' MET . 88.0 mt -54.28 -48.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.844 0.858 . . . . 72.019999999999996 111.806 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.8 -36.01 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.27 0.628 . . . . 74.219999999999999 111.102 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.23 -43.99 95.58 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.411 1.084 . . . . 75.129999999999995 111.494 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 HD13 HG11 ' A' ' 37' ' ' VAL . 70.9 mt -68.51 -44.91 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.87 0.868 . . . . 74.340000000000003 111.16 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -56.16 -27.08 52.97 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.493 1.117 . . . . 73.549999999999997 113.908 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -57.43 -43.87 84.19 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 122.543 0.337 . . . . 75.510000000000005 111.587 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 C-N-CA 123.134 0.574 . . . . 73.310000000000002 111.232 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 122.433 1.111 . . . . 74.329999999999998 110.724 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.8 p -80.75 179.02 8.0 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 113.756 -1.565 . . . . 72.340000000000003 109.759 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -51.37 -42.7 61.52 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.529 0.937 . . . . 75.439999999999998 113.529 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.26 -44.94 88.59 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.437 0.637 . . . . 71.510000000000005 111.58 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.24 -29.24 62.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.424 1.09 . . . . 75.450000000000003 112.249 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 22' ' ' THR . 84.6 mt -71.39 -34.94 70.84 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.516 0.727 . . . . 75.519999999999996 110.81 177.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -71.57 -40.6 69.84 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.785 0.834 . . . . 73.540000000000006 110.6 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.14 98.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.451 0.7 . . . . 72.409999999999997 111.068 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.59 -33.3 73.81 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.047 0.539 . . . . 74.230000000000004 111.167 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.99 97.83 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.704 0.801 . . . . 74.549999999999997 112.448 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -103.49 11.03 36.88 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.199 0.6 . . . . 74.530000000000001 112.482 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 57.57 55.73 5.43 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.707 1.203 . . . . 74.319999999999993 112.882 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.69 120.59 80.62 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.094 0.558 . . . . 72.150000000000006 109.697 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.94 -23.6 29.79 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.541 2.16 . . . . 72.439999999999998 113.141 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.0 152.32 55.99 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 123.37 0.668 . . . . 72.439999999999998 110.761 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.41 165.33 32.99 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 121.704 1.603 . . . . 75.319999999999993 111.373 163.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 68' ' ' ILE . 59.1 t -60.94 -37.46 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.267 0.627 . . . . 73.230000000000004 110.709 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.23 -48.78 80.33 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 124.583 1.153 . . . . 72.049999999999997 111.202 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HE3' HD11 ' A' ' 43' ' ' LEU . 60.3 tptt -54.99 -54.99 35.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.225 1.01 . . . . 75.349999999999994 112.671 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.414 HD11 HG12 ' A' ' 65' ' ' ILE . 92.3 mt -59.35 -36.99 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.792 0.837 . . . . 75.010000000000005 112.207 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.61 -46.37 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 122.793 0.437 . . . . 71.439999999999998 111.427 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -76.03 -15.62 60.1 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.786 0.661 . . . . 74.040000000000006 112.786 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD11 ' HE3' ' A' ' 39' ' ' LYS . 75.5 mt -79.54 115.81 56.14 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 122.923 0.489 . . . . 73.230000000000004 111.27 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.8 156.94 63.71 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 122.927 2.418 . . . . 60.32 112.051 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.82 -47.64 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.752 0.821 . . . . 74.349999999999994 113.033 -169.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -46.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 122.804 0.442 . . . . 73.310000000000002 111.763 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 -42.28 98.71 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.921 0.888 . . . . 73.209999999999994 111.707 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.74 -36.02 65.12 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.184 -0.916 . . . . 73.040000000000006 112.119 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -67.0 -39.52 87.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.13 0.572 . . . . 71.329999999999998 110.649 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HG2' ' HE3' ' A' ' 54' ' ' LYS . 33.4 tt0 -64.64 -39.49 93.8 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.024 -0.534 . . . . 71.430000000000007 110.322 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.66 -45.61 89.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.793 0.837 . . . . 53.409999999999997 112.134 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -75.18 -16.96 60.47 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 112.253 0.464 . . . . 73.420000000000002 112.253 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.6 m -82.21 -16.45 49.61 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.75 0.42 . . . . 73.340000000000003 111.825 173.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HE3' ' HG2' ' A' ' 50' ' ' GLU . 94.9 mttt -92.05 -48.38 6.77 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.575 0.75 . . . . 74.150000000000006 110.18 172.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -128.4 97.17 4.64 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.476 1.11 . . . . 74.519999999999996 109.252 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.8 156.07 19.17 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.564 0.579 . . . . 73.540000000000006 112.564 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -126.17 177.05 6.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.665 0.786 . . . . 75.129999999999995 110.578 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.473 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 24.9 t-20 -69.76 155.45 40.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.308 0.643 . . . . 74.200000000000003 111.614 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.92 -38.95 83.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.907 0.883 . . . . 65.420000000000002 112.704 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.23 80.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.377 0.671 . . . . 74.519999999999996 111.617 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 45.3 mt-30 -64.58 -49.98 69.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.96 0.504 . . . . 75.129999999999995 110.797 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 88.6 mt -61.79 -32.95 73.27 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.914 0.885 . . . . 75.239999999999995 111.779 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.37 88.29 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.279 0.632 . . . . 73.540000000000006 111.634 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.8 -45.21 94.85 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.164 0.586 . . . . 75.140000000000001 111.594 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.414 HG12 HD11 ' A' ' 40' ' ' ILE . 62.3 mt -54.12 -42.1 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.42 1.088 . . . . 75.519999999999996 112.301 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 61.4 mtt180 -58.04 -42.45 85.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.254 0.622 . . . . 72.219999999999999 111.075 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.46 -39.77 85.35 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.036 0.535 . . . . 62.119999999999997 111.136 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 37' ' ' VAL . 81.0 mt -61.87 -43.12 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.755 0.822 . . . . 75.200000000000003 111.054 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -59.57 -43.42 93.63 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.868 0.867 . . . . 73.230000000000004 111.634 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.85 -22.21 56.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.719 0.808 . . . . 75.209999999999994 112.08 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 N--CA 1.489 1.491 0 C-N-CA 124.104 0.962 . . . . 75.409999999999997 111.154 177.808 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 CA--C 1.556 1.183 0 CA-C-O 121.386 0.612 . . . . 65.200000000000003 111.667 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 p -83.59 176.03 9.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 63.399999999999999 110.8 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.84 -27.18 67.89 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 122.915 0.486 . . . . 72.129999999999995 112.234 175.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.9 m-20 -73.36 -47.67 40.39 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.647 0.779 . . . . 73.299999999999997 110.651 173.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.13 -33.33 73.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.918 0.487 . . . . 51.310000000000002 111.707 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.09 72.93 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.353 0.661 . . . . 73.310000000000002 112.348 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.2 ptp180 -72.4 -33.5 67.21 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.864 0.302 . . . . 72.230000000000004 110.628 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.64 78.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.367 0.667 . . . . 73.230000000000004 110.827 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -59.68 -32.03 70.11 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.531 1.132 . . . . 72.329999999999998 112.127 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.66 92.27 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.555 0.742 . . . . 63.32 112.451 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.97 9.6 42.36 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.959 0.504 . . . . 74.310000000000002 112.28 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.69 49.37 3.0 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.993 0.917 . . . . 63.299999999999997 112.752 168.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.425 HG22 ' H ' ' A' ' 35' ' ' PHE . 38.7 mm -70.58 123.2 88.65 Favored Pre-proline 0 CA--C 1.564 1.482 0 C-N-CA 123.188 0.595 . . . . 75.230000000000004 110.112 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.29 -9.43 10.6 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.511 2.807 . . . . 72.349999999999994 115.373 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' H ' HG22 ' A' ' 33' ' ' ILE . 64.8 m-85 -124.34 155.43 68.49 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.992 0.917 . . . . 73.549999999999997 111.364 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.22 161.85 41.13 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.768 2.312 . . . . 75.310000000000002 113.102 168.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.733 HG12 HG21 ' A' ' 68' ' ' ILE . 33.9 t -64.6 -42.84 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 123.404 0.682 . . . . 71.239999999999995 110.993 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -47.3 -37.24 10.46 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.632 1.173 . . . . 73.129999999999995 112.081 171.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.799 ' HZ2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.64 -55.33 13.71 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.314 0.646 . . . . 74.129999999999995 112.362 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.39 -37.83 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 C-N-CA 123.114 0.566 . . . . 72.219999999999999 111.703 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.82 -39.86 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.126 0.571 . . . . 75.209999999999994 112.287 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -90.97 -4.25 56.62 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.383 0.512 . . . . 65.5 112.383 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.25 112.4 47.64 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.422 0.689 . . . . 73.510000000000005 110.508 168.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.82 154.87 73.07 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.649 2.233 . . . . 74.140000000000001 111.831 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.79 -48.16 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 C-N-CA 123.72 0.808 . . . . 70.439999999999998 113.091 -170.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.65 -39.47 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.333 0 C-N-CA 123.008 0.523 . . . . 65.409999999999997 111.973 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.75 -37.19 59.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.511 0.725 . . . . 73.430000000000007 112.153 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -72.79 -42.39 63.95 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.728 -0.214 . . . . 74.340000000000003 110.959 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -65.18 -28.45 69.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.237 0.615 . . . . 72.329999999999998 111.413 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -63.78 -49.21 73.83 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.491 0.716 . . . . 75.439999999999998 109.509 170.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE1' ' HA ' ' A' ' 51' ' ' MET . 3.3 tpt -63.16 -40.53 97.82 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.926 1.29 . . . . 64.200000000000003 111.849 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -75.7 -29.94 59.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.346 1.459 . . . . 75.340000000000003 111.391 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 t -76.52 -33.71 58.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.332 0.653 . . . . 74.540000000000006 111.361 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -68.36 -53.63 22.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.769 0.828 . . . . 75.140000000000001 111.649 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -117.54 93.38 4.14 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.966 0.906 . . . . 73.420000000000002 109.006 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.79 124.74 28.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.995 -1.002 . . . . 72.150000000000006 112.461 -170.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -87.54 170.74 11.06 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.868 0.867 . . . . 73.109999999999999 110.85 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -72.66 154.1 40.89 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.023 0.529 . . . . 62.420000000000002 110.511 172.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.95 -32.15 73.48 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.078 0.77 . . . . 64.549999999999997 113.078 -173.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.9 86.96 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.361 0.664 . . . . 63.119999999999997 111.201 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.59 -43.37 98.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 115.764 -0.653 . . . . 75.239999999999995 110.873 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.33 -46.28 90.45 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.613 0.765 . . . . 62.530000000000001 111.865 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.36 73.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.767 0.827 . . . . 73.510000000000005 112.101 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 tp -69.14 -47.87 63.88 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.876 -0.602 . . . . 74.310000000000002 112.205 175.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.86 -32.82 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.499 0.719 . . . . 74.230000000000004 111.469 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.69 -46.5 88.87 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.323 0.649 . . . . 74.430000000000007 110.931 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.29 -43.93 92.53 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.317 0.647 . . . . 54.299999999999997 111.712 175.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.733 HG21 HG12 ' A' ' 37' ' ' VAL . 84.6 mt -58.79 -46.91 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 124.265 1.026 . . . . 73.299999999999997 111.877 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -39.7 68.23 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.501 0.721 . . . . 74.340000000000003 110.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -64.86 -30.07 71.05 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.748 0.819 . . . . 72.040000000000006 112.603 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 122.921 0.489 . . . . 75.329999999999998 111.549 175.796 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 113.792 1.034 . . . . 75.019999999999996 113.792 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -80.2 177.52 8.9 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.725 -0.67 . . . . 73.019999999999996 109.537 163.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.51 70.94 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.951 -0.468 . . . . 75.5 110.841 176.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.94 -38.95 87.1 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.261 0.625 . . . . 61.520000000000003 111.909 173.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.03 -42.86 96.95 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.201 0.601 . . . . 74.120000000000005 111.752 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -51.25 68.08 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.163 0.585 . . . . 74.230000000000004 111.696 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -68.86 -30.39 68.9 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.139 0.575 . . . . 73.299999999999997 111.695 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -52.37 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.953 0.501 . . . . 63.43 111.541 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -68.58 -31.76 71.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.200000000000003 111.777 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.98 73.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.664 0.786 . . . . 71.209999999999994 111.924 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 64' ' ' LEU . 86.6 mt -97.11 -13.85 21.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.425 0.69 . . . . 73.439999999999998 112.087 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 m80 67.24 58.69 0.54 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.481 1.112 . . . . 74.409999999999997 112.188 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -68.66 121.2 80.19 Favored Pre-proline 0 CA--C 1.559 1.291 0 N-CA-C 108.54 -0.911 . . . . 73.239999999999995 108.54 166.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.01 -27.08 74.01 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.379 2.053 . . . . 71.400000000000006 113.515 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' HZ ' ' HG2' ' A' ' 51' ' ' MET . 30.6 m-85 -98.0 151.57 37.62 Favored Pre-proline 0 N--CA 1.487 1.392 0 C-N-CA 123.375 0.67 . . . . 72.049999999999997 111.106 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.62 153.66 47.66 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.214 1.943 . . . . 72.439999999999998 112.244 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.17 -29.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 123.651 0.781 . . . . 70.420000000000002 111.584 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.34 -51.69 32.88 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.32 1.048 . . . . 72.549999999999997 112.452 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.57 -33.2 75.37 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.713 1.005 . . . . 75.219999999999999 113.713 -173.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.29 -29.82 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.596 0 CA-C-O 121.459 0.647 . . . . 71.019999999999996 109.788 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.37 -36.74 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.627 0 C-N-CA 124.318 1.047 . . . . 73.409999999999997 112.537 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -99.59 -33.83 10.47 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.695 0.998 . . . . 74.329999999999998 113.695 -168.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.98 127.73 87.67 Favored Pre-proline 0 N--CA 1.487 1.404 0 CA-C-N 117.94 0.336 . . . . 73.540000000000006 110.87 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.56 142.83 96.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.407 2.072 . . . . 64.140000000000001 112.523 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.08 -31.53 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 124.872 1.269 . . . . 74.549999999999997 113.591 -171.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.85 -49.58 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-O 120.885 0.374 . . . . 73.400000000000006 111.331 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.46 -38.09 88.8 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.892 0.877 . . . . 74.340000000000003 112.0 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HE1' HD12 ' A' ' 65' ' ' ILE . 15.6 t80 -73.3 -44.19 59.55 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.045 -0.525 . . . . 73.219999999999999 111.386 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.83 -27.47 68.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.147 0.579 . . . . 75.329999999999998 111.814 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.13 -46.33 90.99 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.323 0.649 . . . . 73.519999999999996 111.706 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.422 ' HG2' ' HZ ' ' A' ' 35' ' ' PHE . 15.4 tpt -56.14 -44.96 79.72 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.372 0.669 . . . . 73.510000000000005 111.367 174.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 ttt -64.9 -37.71 88.55 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.366 -0.834 . . . . 73.450000000000003 111.787 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -22.56 65.68 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.134 0.574 . . . . 70.010000000000005 111.705 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -81.71 -52.08 7.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.597 0.759 . . . . 74.420000000000002 110.154 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.43 102.58 4.51 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.838 0.855 . . . . 72.519999999999996 110.88 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.01 129.35 37.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.542 0.737 . . . . 73.430000000000007 111.253 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.28 -175.67 3.79 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.705 0.802 . . . . 70.099999999999994 111.258 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -69.99 157.6 37.19 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.648 0.379 . . . . 75.150000000000006 111.147 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.83 -37.91 71.9 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 113.1 0.778 . . . . 73.340000000000003 113.1 -174.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.69 64.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.39 0.676 . . . . 73.049999999999997 111.844 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.19 -49.97 73.69 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.456 0.702 . . . . 72.150000000000006 111.3 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.86 -47.08 83.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.963 0.905 . . . . 74.409999999999997 111.951 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.96 75.76 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.4 0.68 . . . . 73.239999999999995 111.945 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 31' ' ' LEU . 43.1 tp -58.77 -42.23 88.46 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.972 0.73 . . . . 70.540000000000006 112.972 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.428 HD12 ' HE1' ' A' ' 48' ' ' PHE . 89.0 mt -52.8 -44.44 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.743 0.817 . . . . 75.319999999999993 111.725 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -67.1 -30.08 70.01 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.232 0.613 . . . . 75.519999999999996 112.093 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.3 -49.56 18.79 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.85 0.46 . . . . 75.400000000000006 111.742 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.02 -35.72 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 75.219999999999999 112.433 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -70.84 -26.75 63.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.877 -0.514 . . . . 74.219999999999999 111.534 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -66.89 -27.38 67.46 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.462 0.305 . . . . 75.019999999999996 111.659 168.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.8 mmt-85 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.075 0.464 . . . . 75.329999999999998 110.178 170.486 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.5 mt . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.989 0.423 . . . . 71.230000000000004 110.232 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p -74.12 173.49 10.01 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.383 -0.826 . . . . 74.109999999999999 110.382 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -55.98 -28.63 57.98 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.447 0.699 . . . . 75.310000000000002 112.387 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.38 -44.94 49.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.972 0.909 . . . . 75.510000000000005 110.862 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -63.79 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.376 0.671 . . . . 75.120000000000005 111.459 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.42 -47.48 76.11 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.741 0.817 . . . . 75.310000000000002 112.262 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -70.06 -29.8 66.89 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 122.924 0.489 . . . . 71.120000000000005 111.934 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.86 60.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.944 0.498 . . . . 70.319999999999993 110.923 173.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.03 -27.64 68.94 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 115.694 -0.685 . . . . 73.530000000000001 111.322 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.28 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.661 0.784 . . . . 51.520000000000003 111.446 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD12 HD22 ' A' ' 64' ' ' LEU . 70.9 mt -87.14 12.17 12.21 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.368 0.667 . . . . 74.010000000000005 112.141 173.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 63.42 33.99 13.28 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.341 1.056 . . . . 71.510000000000005 112.385 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.7 mm -72.97 113.97 26.49 Favored Pre-proline 0 CA--C 1.561 1.386 0 N-CA-C 109.384 -0.598 . . . . 72.310000000000002 109.384 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.54 7.32 2.32 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.877 2.385 . . . . 73.409999999999997 114.637 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.63 145.74 50.22 Favored Pre-proline 0 N--CA 1.486 1.36 0 C-N-CA 124.303 1.041 . . . . 75.340000000000003 110.701 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.87 153.91 74.31 Favored 'Trans proline' 0 C--N 1.387 2.595 0 C-N-CA 122.993 2.462 . . . . 63.420000000000002 113.106 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.447 ' HA ' HD11 ' A' ' 40' ' ' ILE . 55.2 t -51.75 -37.9 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 124.57 1.148 . . . . 74.129999999999995 112.578 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 41' ' ' ILE . 45.5 tt0 -52.01 -43.06 63.48 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.442 0.697 . . . . 73.030000000000001 112.206 175.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' A' ' 43' ' ' LEU . 88.9 tttt -67.4 -41.43 84.96 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.654 0.382 . . . . 74.450000000000003 111.751 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 37' ' ' VAL . 4.7 mp -58.46 -45.44 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 122.321 0.248 . . . . 75.040000000000006 110.398 174.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 38' ' ' GLU . 93.4 mt -52.22 -41.28 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.898 0.879 . . . . 70.219999999999999 111.548 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.26 -41.3 49.38 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.874 0.87 . . . . 73.409999999999997 112.577 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD13 ' HE2' ' A' ' 39' ' ' LYS . 96.6 mt -69.63 116.09 39.67 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 123.364 0.666 . . . . 74.319999999999993 112.145 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.27 167.15 27.06 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.786 2.324 . . . . 73.219999999999999 111.626 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.45 -43.04 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 112.864 0.69 . . . . 71.129999999999995 112.864 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.18 -51.23 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 122.674 0.389 . . . . 63.119999999999997 111.498 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.79 -36.11 78.18 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.431 0.692 . . . . 62.399999999999999 111.873 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' HZ ' HD12 ' A' ' 65' ' ' ILE . 25.9 t80 -72.86 -33.71 66.27 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.816 -0.629 . . . . 72.510000000000005 111.558 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -66.61 -30.1 70.3 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.089 0.555 . . . . 71.010000000000005 111.35 177.027 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -67.42 -39.74 85.48 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.885 0.474 . . . . 75.129999999999995 111.009 171.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.7 tpt -60.75 -54.57 43.6 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.19 0.596 . . . . 65.319999999999993 111.438 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.434 ' HG3' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -74.22 -15.89 60.98 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.287 0.477 . . . . 64.549999999999997 112.287 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -59.36 -51.67 68.92 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.739 0.78 . . . . 71.439999999999998 110.474 172.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -65.44 -47.92 74.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.002 -1.454 . . . . 75.230000000000004 111.305 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -146.41 115.73 7.07 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.712 0.805 . . . . 75.209999999999994 110.7 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -81.88 144.46 30.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.32 1.048 . . . . 75.219999999999999 112.244 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.99 163.44 12.44 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.868 0.867 . . . . 75.109999999999999 110.009 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -70.09 153.52 43.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.865 0.466 . . . . 71.420000000000002 111.158 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.39 -34.15 74.86 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.924 0.713 . . . . 71.219999999999999 112.924 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.04 81.06 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.526 0.731 . . . . 55.32 111.724 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.89 -50.53 62.16 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.627 0.771 . . . . 74.150000000000006 110.474 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.28 -34.04 73.18 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.018 0.927 . . . . 72.400000000000006 112.085 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.58 78.9 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.834 0.854 . . . . 62.219999999999999 111.688 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.598 HD22 HD12 ' A' ' 31' ' ' LEU . 60.8 tp -62.33 -46.21 89.72 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.505 0.722 . . . . 74.239999999999995 111.607 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.414 HD12 ' HZ ' ' A' ' 48' ' ' PHE . 98.0 mt -59.01 -43.0 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.716 0.806 . . . . 74.400000000000006 112.166 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -62.97 -46.26 88.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 75.019999999999996 110.741 175.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.7 -47.95 80.93 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.231 1.012 . . . . 74.150000000000006 111.937 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD12 HG11 ' A' ' 37' ' ' VAL . 87.1 mt -61.95 -45.16 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.307 1.043 . . . . 74.299999999999997 111.569 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.06 -26.71 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.37 0.668 . . . . 74.420000000000002 112.334 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.47 -18.82 62.28 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.018 0.747 . . . . 75.209999999999994 113.018 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? . . . . . 0 N--CA 1.494 1.734 0 C-N-CA 122.754 0.422 . . . . 74.349999999999994 111.16 171.448 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 120.569 0.224 . . . . 73.319999999999993 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -66.2 168.01 9.29 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.279 -0.419 . . . . 72.450000000000003 110.351 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.41 -20.94 21.99 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.083 0.771 . . . . 74.409999999999997 113.083 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.7 m-20 -63.83 -53.97 42.32 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.543 0.737 . . . . 74.010000000000005 111.32 172.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -65.4 -27.07 68.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.891 -0.506 . . . . 74.340000000000003 112.168 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.67 -40.34 66.36 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.399 0.518 . . . . 74.299999999999997 112.399 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 9.0 ptm180 -70.99 -33.23 70.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.465 0.306 . . . . 73.340000000000003 110.3 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -63.92 -48.72 75.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.296 0.639 . . . . 62.030000000000001 111.075 173.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.37 -26.48 68.77 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.605 1.162 . . . . 63.539999999999999 112.415 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.06 94.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.34 0.656 . . . . 70.219999999999999 111.657 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 64' ' ' LEU . 83.4 mt -94.14 10.23 34.64 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.331 0.652 . . . . 75.400000000000006 112.356 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.37 36.57 8.96 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.526 1.13 . . . . 74.129999999999995 113.184 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.95 124.26 81.07 Favored Pre-proline 0 CA--C 1.563 1.453 0 C-N-CA 123.464 0.706 . . . . 74.349999999999994 110.051 172.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.41 -8.65 20.94 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.653 2.235 . . . . 72.439999999999998 113.651 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -112.02 151.08 43.31 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.699 0.799 . . . . 70.049999999999997 111.325 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -64.66 161.16 36.81 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.339 2.026 . . . . 73.140000000000001 111.941 165.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 68' ' ' ILE . 44.5 t -62.42 -40.51 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.681 0.792 . . . . 73.209999999999994 111.544 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.14 -35.7 67.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.252 0.621 . . . . 75.329999999999998 112.264 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HE3' HD13 ' A' ' 43' ' ' LEU . 57.8 tptt -63.26 -45.87 89.49 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.239 0.616 . . . . 74.219999999999999 112.0 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.45 -41.4 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.238 0.615 . . . . 75.299999999999997 110.61 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.29 -43.0 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.621 0.768 . . . . 73.310000000000002 111.803 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -77.15 -21.92 53.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.29 0.636 . . . . 74.540000000000006 112.634 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD13 ' HE3' ' A' ' 39' ' ' LYS . 94.6 mt -88.62 108.39 22.6 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-O 119.064 -0.493 . . . . 75.409999999999997 110.001 172.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.55 159.83 30.53 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.684 2.256 . . . . 74.310000000000002 111.69 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.97 -36.12 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 123.013 0.525 . . . . 74.209999999999994 112.207 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.67 -52.86 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-O 121.42 0.629 . . . . 64.439999999999998 111.696 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.77 -40.73 75.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.965 0.906 . . . . 62.049999999999997 111.795 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -69.09 -34.32 74.92 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.136 -0.484 . . . . 64.420000000000002 111.499 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.47 -36.4 78.19 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.777 0.431 . . . . 72.129999999999995 111.78 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.02 -48.87 72.36 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.515 0.326 . . . . 74.530000000000001 110.888 173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.4 tpt -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.379 0.671 . . . . 74.340000000000003 111.795 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.8 ttp -74.88 -29.53 61.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.42 1.088 . . . . 75.430000000000007 111.605 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -72.54 -46.5 54.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.688 0.395 . . . . 72.319999999999993 111.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -46.15 56.45 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.698 0.399 . . . . 74.430000000000007 111.201 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.4 82.89 2.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.205 -0.665 . . . . 75.329999999999998 109.205 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -69.98 101.63 1.83 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.029 0.532 . . . . 74.219999999999999 110.923 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.94 167.51 20.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.105 0.562 . . . . 74.219999999999999 110.48 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -74.33 151.64 39.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.509 0.324 . . . . 72.109999999999999 111.411 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -39.09 61.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.33 1.052 . . . . 72.519999999999996 113.527 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.46 71.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.516 0.726 . . . . 71.120000000000005 111.82 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -46.78 87.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.495 0.718 . . . . 64.129999999999995 111.252 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -38.09 85.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.909 0.883 . . . . 75.25 112.077 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.53 91.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.558 0.743 . . . . 71.010000000000005 111.977 175.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 28' ' ' ALA . 56.4 tp -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.085 0.554 . . . . 75.409999999999997 111.96 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.11 -39.55 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.594 0.758 . . . . 74.450000000000003 111.613 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.45 -35.6 79.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.608 0.763 . . . . 75.409999999999997 111.664 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.505 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 6.4 t70 -74.91 -37.35 62.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.798 0.332 . . . . 74.319999999999993 111.172 177.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.683 HG21 HG11 ' A' ' 37' ' ' VAL . 45.4 mt -64.45 -34.09 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.167 0 C-N-CA 123.467 0.707 . . . . 74.310000000000002 111.129 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.524 0.73 . . . . 74.140000000000001 112.757 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 2.1 ptm180 -67.8 -35.21 78.24 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 122.574 0.35 . . . . 63.520000000000003 111.619 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 122.983 0.513 . . . . 72.099999999999994 111.147 176.743 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 114.134 1.161 . . . . 75.5 114.134 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -76.22 173.56 11.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.913 -1.04 . . . . 64.219999999999999 110.498 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -56.71 -38.33 72.17 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.41 0.284 . . . . 75.209999999999994 111.008 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.74 -47.72 81.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.703 0.801 . . . . 70.310000000000002 112.102 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -67.98 -37.41 81.47 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.401 0.519 . . . . 65.420000000000002 112.401 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.38 -42.34 98.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.097 0.559 . . . . 74.25 111.576 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -76.76 -37.51 55.78 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.858 0.863 . . . . 72.010000000000005 112.061 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -53.2 19.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.798 0.839 . . . . 64.310000000000002 112.081 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.52 -23.77 63.64 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.115 0.566 . . . . 75.439999999999998 111.218 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.106 0.563 . . . . 74.209999999999994 111.791 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD13 HD21 ' A' ' 64' ' ' LEU . 95.5 mt -84.41 -2.33 56.99 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.367 0.667 . . . . 73.109999999999999 112.489 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.9 t60 64.07 57.66 1.26 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.555 1.142 . . . . 73.519999999999996 111.778 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -82.19 118.79 73.26 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.51 -0.768 . . . . 75.319999999999993 109.262 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.98 -1.1 10.77 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.847 2.365 . . . . 75.329999999999998 113.839 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.47 156.09 42.77 Favored Pre-proline 0 N--CA 1.481 1.125 0 C-N-CA 123.792 0.837 . . . . 74.340000000000003 111.346 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 165.64 28.37 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.287 1.991 . . . . 74.040000000000006 112.354 168.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.36 -36.73 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.316 0.646 . . . . 74.519999999999996 111.362 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.82 -40.67 89.21 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.983 0.913 . . . . 74.340000000000003 112.549 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -47.23 80.58 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.376 0.51 . . . . 75.409999999999997 112.376 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.65 -40.65 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.382 0 C-N-CA 123.112 0.565 . . . . 73.219999999999999 110.762 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.86 -47.01 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.847 0.859 . . . . 74.109999999999999 112.747 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -82.08 -12.22 58.35 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.264 0.838 . . . . 72.040000000000006 113.264 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.79 112.5 32.4 Favored Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 123.028 0.531 . . . . 74.299999999999997 111.39 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.48 167.68 23.39 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.897 2.398 . . . . 73.519999999999996 112.05 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.81 -47.95 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 123.617 0.767 . . . . 64.450000000000003 112.977 -171.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.79 -46.94 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.109 0.48 . . . . 70.140000000000001 111.206 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.14 -41.5 96.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.434 1.094 . . . . 74.109999999999999 112.039 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' CZ ' HG22 ' A' ' 65' ' ' ILE . 67.7 t80 -73.49 -38.77 65.27 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.64 -0.709 . . . . 73.299999999999997 112.146 -175.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -38.36 86.33 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.116 0.484 . . . . 75.340000000000003 110.603 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.1 -41.69 97.13 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.226 1.01 . . . . 64.430000000000007 111.165 171.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 ttt -74.49 -42.33 59.17 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.067 0.766 . . . . 72.040000000000006 113.067 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -74.49 -21.53 59.52 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.053 0.39 . . . . 74.299999999999997 112.053 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -64.92 -35.56 81.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.224 0.609 . . . . 63.32 111.76 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -98.92 -23.42 15.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.527 0.731 . . . . 74.5 112.057 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -115.93 88.46 2.89 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.816 0.846 . . . . 71.430000000000007 109.348 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -81.07 135.53 35.83 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.734 0.414 . . . . 73.030000000000001 111.58 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -123.93 171.61 9.57 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.103 0.961 . . . . 75.120000000000005 110.158 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.41 159.78 31.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.64 0.376 . . . . 75.030000000000001 111.375 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.28 -32.81 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.79 0.663 . . . . 74.400000000000006 112.79 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.73 68.2 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.203 0.601 . . . . 72.310000000000002 111.335 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -63.03 -48.65 77.81 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.432 0.693 . . . . 74.450000000000003 111.012 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.65 -29.79 68.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.652 0.781 . . . . 74.209999999999994 112.486 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.15 91.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.089 0.555 . . . . 62.539999999999999 111.169 173.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 31' ' ' LEU . 43.3 tp -58.84 -50.46 73.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 115.381 -0.827 . . . . 74.140000000000001 111.673 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 82.3 mt -58.93 -44.2 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.531 0.732 . . . . 74.230000000000004 111.844 -176.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.95 -35.77 77.61 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.753 0.421 . . . . 74.099999999999994 111.672 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.81 -48.2 69.67 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.585 0.754 . . . . 73.209999999999994 111.546 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 122.901 0.48 . . . . 75.010000000000005 111.279 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.52 71.42 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.03 0.932 . . . . 75.0 111.109 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -71.24 -27.85 63.76 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.847 0.459 . . . . 73.109999999999999 111.435 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 123.435 0.694 . . . . 74.219999999999999 111.643 174.713 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.994 0.425 . . . . 75.340000000000003 111.63 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -82.7 -179.0 7.29 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.963 0.905 . . . . 74.329999999999998 111.725 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -63.27 -41.72 99.06 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.627 0.371 . . . . 64.450000000000003 110.318 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.33 -44.7 95.89 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.798 0.839 . . . . 64.120000000000005 111.756 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -57.45 -53.31 59.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.535 0.734 . . . . 64.430000000000007 112.143 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.72 -41.87 91.84 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 112.724 0.638 . . . . 75.430000000000007 112.724 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -76.82 -32.64 57.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.821 0.675 . . . . 74.129999999999995 112.821 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.31 65.77 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.847 0.459 . . . . 75.010000000000005 111.717 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.86 -24.28 59.72 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.727 0.411 . . . . 75.510000000000005 110.764 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.55 -29.68 67.32 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.337 0.655 . . . . 72.400000000000006 111.512 167.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 61' ' ' GLN . 92.0 mt -79.86 -3.65 48.81 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.261 0.624 . . . . 74.310000000000002 111.796 169.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 64.07 35.25 10.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.621 1.168 . . . . 75.299999999999997 111.487 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.551 HG23 HD12 ' A' ' 40' ' ' ILE . 48.7 mm -65.02 126.65 91.67 Favored Pre-proline 0 CA--C 1.561 1.377 0 C-N-CA 122.933 0.493 . . . . 75.25 110.232 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.43 -21.14 66.73 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.376 2.718 . . . . 73.140000000000001 114.613 -176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -129.89 151.38 78.11 Favored Pre-proline 0 CA--C 1.565 1.543 0 C-N-CA 123.731 0.813 . . . . 74.239999999999995 112.296 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.441 ' O ' HD11 ' A' ' 40' ' ' ILE . 47.9 Cg_exo -58.68 160.86 16.29 Favored 'Trans proline' 0 C--N 1.388 2.625 0 C-N-CA 123.945 3.097 . . . . 75.319999999999993 114.595 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 68' ' ' ILE . 93.8 t -59.75 -44.17 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 123.165 0.586 . . . . 73.439999999999998 112.48 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD11 ' A' ' 41' ' ' ILE . 1.5 mp0 -59.02 -27.51 65.53 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.612 0.365 . . . . 73.219999999999999 111.922 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' A' ' 39' ' ' LYS . 1.1 tpmt? -71.19 -43.91 66.47 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 119.064 -0.493 . . . . 73.430000000000007 110.877 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.551 HD12 HG23 ' A' ' 33' ' ' ILE . 4.4 mp -57.15 -42.13 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 118.166 0.439 . . . . 75.340000000000003 110.319 172.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 38' ' ' GLU . 85.3 mt -58.36 -43.2 85.84 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.391 0 C-N-CA 123.906 0.882 . . . . 73.340000000000003 111.899 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -97.3 4.99 50.65 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 113.738 1.014 . . . . 75.430000000000007 113.738 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 62.2 mt -101.02 109.74 59.17 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 122.991 0.517 . . . . 74.540000000000006 110.807 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -60.46 165.71 10.79 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.684 2.256 . . . . 53.030000000000001 112.167 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 -39.2 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 123.443 0.697 . . . . 71.239999999999995 112.377 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.88 -51.02 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 123.315 0.646 . . . . 53.420000000000002 111.831 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.11 -34.26 75.99 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.031 0.932 . . . . 74.400000000000006 112.023 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' HZ ' HD11 ' A' ' 65' ' ' ILE . 14.6 t80 -72.6 -34.98 67.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.476 0.711 . . . . 72.209999999999994 110.741 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.572 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -68.91 -25.39 64.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.18 0.992 . . . . 75.319999999999993 112.713 178.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -56.15 -47.75 77.62 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.89 0.476 . . . . 73.040000000000006 110.905 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.7 tpt -73.26 -43.74 60.54 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.118 0.567 . . . . 71.239999999999995 111.242 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.715 ' HG3' ' HA ' ' A' ' 56' ' ' GLN . 47.7 ttm -65.6 -17.04 64.29 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.074 0.95 . . . . 71.219999999999999 112.736 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.9 t -55.47 -29.51 58.87 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.246 1.018 . . . . 64.439999999999998 112.606 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.2 -52.94 5.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.269 0.627 . . . . 72.5 111.176 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -141.11 141.52 34.19 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.997 0.919 . . . . 72.430000000000007 110.439 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.715 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.2 OUTLIER -79.46 6.72 9.57 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.111 0.782 . . . . 72.030000000000001 113.111 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 69.23 166.66 0.27 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.16 1.384 . . . . 75.230000000000004 112.148 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 58.2 t30 -77.87 153.82 32.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.829 -0.623 . . . . 74.040000000000006 110.422 174.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.13 -44.19 95.1 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.913 0.885 . . . . 74.310000000000002 111.688 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.28 73.01 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.05 0.94 . . . . 72.040000000000006 112.555 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HA ' HD13 ' A' ' 31' ' ' LEU . 89.8 mt-30 -70.09 -52.38 24.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.318 0.647 . . . . 74.150000000000006 110.658 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.34 -30.46 69.55 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.405 1.082 . . . . 75.430000000000007 112.614 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -54.27 -46.54 72.7 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.771 0.828 . . . . 74.109999999999999 111.728 174.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 tp -76.39 -49.97 15.41 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.442 -0.799 . . . . 75.349999999999994 111.715 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 HD11 ' HZ ' ' A' ' 48' ' ' PHE . 79.3 mt -52.64 -50.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.606 1.162 . . . . 74.140000000000001 113.454 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' ' 63' ' ' ALA . 77.9 mtm180 -60.14 -43.32 95.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.897 0.479 . . . . 75.219999999999999 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.97 -39.57 92.61 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.406 0.682 . . . . 74.430000000000007 111.746 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.516 HD12 HG11 ' A' ' 37' ' ' VAL . 75.1 mt -66.32 -41.67 89.39 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 123.609 0.763 . . . . 73.230000000000004 111.766 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -68.28 -41.2 81.37 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.913 0.485 . . . . 74.400000000000006 111.75 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -71.98 -24.01 61.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.258 0.623 . . . . 74.099999999999994 111.495 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 N--CA 1.483 1.212 0 C-N-CA 123.531 0.732 . . . . 72.239999999999995 110.547 173.359 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.703 0.763 . . . . 74.420000000000002 109.208 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -73.92 177.66 5.44 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.496 -1.229 . . . . 73.340000000000003 112.65 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.483 ' HA ' HD12 ' A' ' 26' ' ' LEU . 71.7 ttt180 -61.42 -32.33 72.28 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.016 0.927 . . . . 71.219999999999999 110.689 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.92 -34.24 77.35 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.698 -1.137 . . . . 73.230000000000004 111.38 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.685 ' HA ' HG22 ' A' ' 37' ' ' VAL . 6.2 tm-20 -67.78 -45.57 74.47 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.273 0.629 . . . . 72.140000000000001 110.334 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 23' ' ' ARG . 65.6 mt -56.1 -46.19 79.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.395 1.078 . . . . 74.409999999999997 112.29 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HD3' HD12 ' A' ' 64' ' ' LEU . 7.4 ptp180 -72.65 -34.42 67.26 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.079 0.552 . . . . 74.209999999999994 111.782 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.11 67.87 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.538 0.735 . . . . 70.439999999999998 112.592 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.56 -25.13 67.84 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.571 0.748 . . . . 73.400000000000006 111.701 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -36.32 78.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.464 0.705 . . . . 74.329999999999998 111.8 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.14 -5.33 55.2 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.708 0.803 . . . . 64.030000000000001 112.251 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 62.24 59.49 1.6 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.877 1.271 . . . . 72.530000000000001 111.895 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 HD13 HD12 ' A' ' 65' ' ' ILE . 51.2 mm -70.41 120.93 81.63 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-N 115.442 -0.799 . . . . 72.239999999999995 109.837 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.52 6.41 4.83 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.052 2.501 . . . . 75.340000000000003 114.64 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -108.89 157.96 35.45 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 123.447 0.699 . . . . 62.219999999999999 111.629 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.76 128.51 22.29 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 121.825 1.683 . . . . 62.450000000000003 109.34 159.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' A' ' 25' ' ' GLU . 58.7 t -70.42 -28.85 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 112.288 0.477 . . . . 72.019999999999996 112.288 -172.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -36.06 82.79 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.968 -0.382 . . . . 63.130000000000003 109.968 171.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -64.72 -37.53 87.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.744 0.818 . . . . 75.420000000000002 111.5 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.44 -48.51 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 123.42 0.688 . . . . 74.409999999999997 111.052 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.16 -26.13 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 C-N-CA 123.957 0.903 . . . . 72.099999999999994 111.464 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -83.31 -38.1 22.56 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.51 0.724 . . . . 64.310000000000002 111.97 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.59 120.45 75.56 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.997 0.919 . . . . 70.530000000000001 111.716 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.87 165.7 18.06 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 122.962 2.441 . . . . 62.399999999999999 112.167 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.43 -52.71 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 113.288 0.847 . . . . 74.420000000000002 113.288 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.2 t -60.64 -41.63 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.17 0.51 . . . . 73.109999999999999 111.955 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.71 -41.7 78.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.299 1.04 . . . . 73.230000000000004 112.052 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.069 -0.969 . . . . 74.319999999999993 111.434 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.71 -35.86 82.43 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.819 0.848 . . . . 72.340000000000003 111.121 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.0 tp10 -59.48 -48.52 81.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.688 0.795 . . . . 72.150000000000006 110.881 172.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.97 -45.84 84.01 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.645 0.778 . . . . 72.150000000000006 112.454 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.5 ' HA ' ' HE2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -74.07 -16.29 61.04 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.504 0.557 . . . . 72.510000000000005 112.504 -176.192 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -86.29 -23.5 26.29 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.241 0.616 . . . . 75.019999999999996 111.578 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 29.8 mtpp -78.32 -47.65 17.32 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.048 0.539 . . . . 75.409999999999997 111.054 173.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -87.43 145.09 26.43 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.674 0.789 . . . . 74.349999999999994 110.841 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.04 130.66 38.55 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.915 0.486 . . . . 73.519999999999996 110.856 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.5 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 92.5 m-85 -128.29 159.46 35.2 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.508 0.723 . . . . 74.030000000000001 111.595 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -78.61 154.02 30.63 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 115.417 -0.811 . . . . 64.230000000000004 109.318 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.48 -41.92 81.61 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.112 0.965 . . . . 64.25 111.32 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.51 77.84 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.859 0.864 . . . . 74.409999999999997 112.084 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.99 -54.46 46.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.198 0.599 . . . . 74.239999999999995 111.555 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.99 -41.74 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.996 0.918 . . . . 74.450000000000003 112.796 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.95 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.835 0.854 . . . . 74.120000000000005 112.838 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.41 HD12 ' HD3' ' A' ' 27' ' ' ARG . 54.8 tp -71.92 -37.87 69.98 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.335 -0.393 . . . . 73.450000000000003 112.024 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.415 HD12 HD13 ' A' ' 33' ' ' ILE . 68.8 mt -57.55 -40.49 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 C-N-CA 123.536 0.734 . . . . 74.420000000000002 111.901 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.61 -34.99 75.05 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.521 0.729 . . . . 74.409999999999997 111.877 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.21 -51.34 25.27 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 122.996 0.518 . . . . 75.040000000000006 111.134 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.34 -44.42 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.08 0.952 . . . . 73.219999999999999 112.559 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -50.63 71.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.518 0.727 . . . . 73.099999999999994 110.516 -176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -70.36 -45.75 65.46 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.297 0.639 . . . . 74.420000000000002 112.251 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 122.788 0.435 . . . . 73.230000000000004 110.081 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.98 0.419 . . . . 74.450000000000003 110.342 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -74.88 173.73 10.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 65.239999999999995 111.55 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -51.99 -44.08 63.9 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.153 0.981 . . . . 74.540000000000006 112.229 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -68.55 -41.63 79.53 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 124.602 1.161 . . . . 73.409999999999997 112.551 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.11 -39.67 79.26 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.372 0.669 . . . . 64.409999999999997 111.912 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.33 -39.84 95.67 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.61 0.764 . . . . 75.230000000000004 111.703 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -71.69 -36.81 70.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.364 0.666 . . . . 75.109999999999999 112.343 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -48.71 72.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.944 0.498 . . . . 73.329999999999998 110.916 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.41 -28.09 69.75 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.687 -0.688 . . . . 74.129999999999995 111.396 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.53 92.74 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.029 0.532 . . . . 75.329999999999998 111.734 174.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.57 -5.18 59.1 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.199 0.6 . . . . 74.540000000000006 112.585 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 61.77 49.01 5.09 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.599 1.16 . . . . 73.430000000000007 110.97 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.82 126.65 92.19 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.591 0.757 . . . . 75.310000000000002 109.337 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.74 -10.27 24.21 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.12 2.546 . . . . 72.319999999999993 114.968 -174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.16 151.85 43.96 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 123.494 0.718 . . . . 75.109999999999999 111.259 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.79 143.71 74.76 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 121.997 1.798 . . . . 71.120000000000005 109.968 159.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 HG23 ' A' ' 68' ' ' ILE . 73.5 t -58.86 -32.81 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 113.09 0.774 . . . . 74.120000000000005 113.09 -173.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.52 -35.07 60.28 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 112.349 0.5 . . . . 74.409999999999997 112.349 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -55.8 -51.24 68.16 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.27 0.628 . . . . 74.200000000000003 111.923 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -62.65 -37.44 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 123.59 0.756 . . . . 72.549999999999997 110.6 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.03 -40.63 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.883 0.873 . . . . 75.140000000000001 111.956 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 12.9 m120 -76.72 -24.86 53.07 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.495 0.554 . . . . 71.299999999999997 112.495 -175.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 108.54 23.82 Favored Pre-proline 0 CA--C 1.566 1.565 0 C-N-CA 123.265 0.626 . . . . 72.319999999999993 111.636 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 42' ' ' ASN . 6.4 Cg_exo -74.41 -172.0 1.07 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 123.009 2.472 . . . . 71.439999999999998 112.125 172.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -53.33 -56.56 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 113.285 0.846 . . . . 72.340000000000003 113.285 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.83 -52.87 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 121.109 0.48 . . . . 75.329999999999998 111.931 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 6.0 m-20 -67.87 -38.97 83.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.616 0.767 . . . . 72.129999999999995 112.987 -174.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.19 -43.17 64.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.107 0.563 . . . . 55.140000000000001 112.309 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -56.1 -27.09 52.39 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.927 0.714 . . . . 71.450000000000003 112.927 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.01 -48.74 75.36 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.594 0.758 . . . . 74.530000000000001 112.217 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.4 tpt -70.58 -43.45 69.39 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.301 0.64 . . . . 74.450000000000003 111.662 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.401 ' SD ' ' NH2' ' A' ' 66' ' ' ARG . 56.9 ttp -65.32 -31.73 73.01 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.635 0.774 . . . . 73.439999999999998 111.691 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 t -70.97 -41.41 71.06 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.582 0.753 . . . . 73.540000000000006 111.015 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -64.7 -49.23 71.71 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.406 -1.27 . . . . 65.25 111.673 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.48 130.5 19.44 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.284 0.634 . . . . 74.340000000000003 109.93 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.52 153.9 41.86 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.861 0.864 . . . . 74.030000000000001 112.994 -173.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . 47.8 m-85 -120.22 156.17 31.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.296 1.038 . . . . 71.430000000000007 108.392 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -69.66 156.72 38.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.33 0.252 . . . . 73.530000000000001 111.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.18 -33.87 71.44 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.565 0.746 . . . . 74.219999999999999 112.764 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.38 95.98 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.617 0.767 . . . . 72.329999999999998 111.82 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -69.39 -54.31 15.07 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.193 0.997 . . . . 75.109999999999999 111.136 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.593 HD22 HH12 ' A' ' 66' ' ' ARG . 82.4 mt -62.47 -27.74 69.34 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.825 0.85 . . . . 74.140000000000001 112.655 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.21 -59.52 4.55 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.765 0.826 . . . . 73.430000000000007 111.735 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.67 -45.11 85.99 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.716 0.806 . . . . 75.409999999999997 111.272 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.93 -35.76 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 123.817 0.847 . . . . 72.409999999999997 112.39 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.593 HH12 HD22 ' A' ' 62' ' ' LEU . 59.2 mmt-85 -64.34 -51.15 64.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 110.116 -0.328 . . . . 75.040000000000006 110.116 175.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 22.5 m-20 -59.42 -38.35 80.42 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.009 0.924 . . . . 72.099999999999994 112.409 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.469 HG23 HG12 ' A' ' 37' ' ' VAL . 84.6 mt -61.62 -45.71 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.393 0.677 . . . . 74.310000000000002 111.13 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.92 -30.1 71.07 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.22 0.608 . . . . 74.310000000000002 112.079 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 22.9 mmt85 -65.11 -47.75 76.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.766 0.426 . . . . 73.129999999999995 110.235 173.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 11.3 mmm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-N 116.104 -0.498 . . . . 74.219999999999999 111.05 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.698 0.285 . . . . 74.120000000000005 110.445 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.68 58.55 0.03 OUTLIER Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.584 -0.607 . . . . 75.109999999999999 111.584 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 113.62 13.85 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.554 0.742 . . . . 64.400000000000006 112.606 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -153.87 137.5 16.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.908 0.483 . . . . 74.319999999999993 111.603 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -163.95 102.1 0.88 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.104 0.962 . . . . 74.209999999999994 110.155 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -89.87 -26.0 20.71 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.114 0.565 . . . . 74.230000000000004 112.107 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.94 131.3 42.02 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.016 0.526 . . . . 74.239999999999995 111.659 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -68.49 106.48 2.57 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.999 0.92 . . . . 72.140000000000001 110.43 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -128.14 17.43 6.63 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.228 0.611 . . . . 63.539999999999999 112.366 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -75.84 75.56 2.78 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 123.239 0.616 . . . . 75.540000000000006 111.356 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.2 mtt -95.93 102.19 13.95 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.571 0.748 . . . . 63.229999999999997 109.909 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -77.27 123.34 26.33 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.477 0.711 . . . . 74.409999999999997 111.658 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -135.58 81.29 1.88 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.836 0.854 . . . . 74.209999999999994 109.014 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.401 ' HA ' ' SG ' ' A' ' 81' ' ' CYS . 36.5 t -84.86 -54.26 4.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.141 0.576 . . . . 73.349999999999994 111.316 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -72.45 86.06 1.14 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.026 0.53 . . . . 71.310000000000002 110.64 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp85 -139.48 123.45 17.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.176 0.99 . . . . 75.329999999999998 110.884 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.94 106.49 6.5 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 106.986 -1.487 . . . . 72.340000000000003 106.986 167.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.83 90.14 1.42 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.926 -0.579 . . . . 70.450000000000003 112.349 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.83 -9.3 58.58 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 115.642 -0.708 . . . . 73.540000000000006 109.707 158.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -77.35 63.37 2.53 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 125.563 1.545 . . . . 75.409999999999997 110.371 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.64 85.5 5.7 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.239 0.615 . . . . 75.239999999999995 109.614 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -72.07 177.65 4.26 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.276 1.03 . . . . 74.329999999999998 112.481 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.73 -36.52 72.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.521 0.729 . . . . 74.140000000000001 111.564 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 68' ' ' ILE . 5.2 m-20 -62.37 -28.66 69.92 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.958 0.903 . . . . 72.230000000000004 111.914 176.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.26 -44.35 65.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.626 0.77 . . . . 73.140000000000001 110.051 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.86 -39.13 84.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.761 0.824 . . . . 75.0 111.416 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -71.68 -31.8 67.17 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.209 1.004 . . . . 75.540000000000006 111.647 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.74 87.94 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.430000000000007 111.025 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 88' ' ' ASN . 81.2 mttt -67.57 -38.34 83.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.546 0.738 . . . . 74.299999999999997 111.923 172.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.48 92.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.306 0.643 . . . . 72.329999999999998 112.243 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.3 -8.46 50.83 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.425 0.69 . . . . 74.230000000000004 112.526 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 59.07 58.99 2.92 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.303 1.041 . . . . 74.310000000000002 111.738 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -74.16 131.46 80.92 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.834 0.854 . . . . 73.510000000000005 110.657 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.01 -6.28 18.71 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 122.784 2.323 . . . . 72.239999999999995 114.279 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -125.44 150.6 68.21 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.752 0.821 . . . . 73.349999999999994 109.36 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.59 157.62 61.08 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 121.996 1.797 . . . . 73.219999999999999 113.099 174.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.03 -47.0 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 C-N-CA 125.642 1.577 . . . . 72.530000000000001 112.304 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.76 -46.66 84.21 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.859 1.264 . . . . 73.310000000000002 112.666 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -69.8 -30.52 68.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.869 0.692 . . . . 74.099999999999994 112.869 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -38.33 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.007 0.523 . . . . 64.430000000000007 110.767 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.5 HG21 ' O ' ' A' ' 72' ' ' GLY . 24.1 mt -77.3 -40.59 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.496 0.718 . . . . 73.430000000000007 111.141 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' HA ' ' HZ1' ' A' ' 75' ' ' LYS . 86.9 m-20 -77.58 -22.19 51.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.425 0.898 . . . . 61.240000000000002 113.425 -172.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.96 111.74 44.61 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 122.908 0.483 . . . . 74.450000000000003 110.207 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.73 162.41 25.1 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.781 2.321 . . . . 64.219999999999999 111.944 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.14 -43.0 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.108 0.563 . . . . 74.219999999999999 112.205 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.49 -52.03 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.553 0.741 . . . . 71.25 112.043 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 -37.02 74.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.049 0.94 . . . . 74.230000000000004 111.806 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.41 -31.36 71.52 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.475 1.11 . . . . 75.299999999999997 111.132 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' HA ' ' HG2' ' A' ' 52' ' ' MET . 0.9 OUTLIER -56.61 -29.35 62.04 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 112.796 0.665 . . . . 72.0 112.796 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.07 -39.24 92.95 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.965 0.412 . . . . 74.040000000000006 110.974 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 1.2 mpt? -66.46 -42.02 88.19 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.695 0.798 . . . . 75.409999999999997 111.941 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' A' ' 49' ' ' ASN . 22.0 ptp -75.2 -17.51 60.35 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 112.112 0.412 . . . . 74.019999999999996 112.112 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -68.43 -26.4 65.5 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.956 0.503 . . . . 64.010000000000005 111.053 171.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.6 -53.18 4.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.284 0.564 . . . . 73.329999999999998 110.782 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -118.47 122.89 43.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.213 1.005 . . . . 62.140000000000001 110.706 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.08 144.41 52.14 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.577 0.351 . . . . 73.349999999999994 110.732 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.23 130.55 56.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.186 0.594 . . . . 73.310000000000002 110.116 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.1 165.6 23.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.648 0.779 . . . . 74.400000000000006 111.876 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.8 -38.45 67.32 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.856 0.862 . . . . 73.239999999999995 113.246 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.5 69.36 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.68 0.792 . . . . 74.219999999999999 111.543 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.64 -46.52 89.43 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.474 0.71 . . . . 71.319999999999993 111.485 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.25 -37.25 82.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.759 0.823 . . . . 75.439999999999998 112.354 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.199 0.6 . . . . 73.310000000000002 111.904 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.05 -48.73 56.69 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.087 0.555 . . . . 73.340000000000003 111.568 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.78 -34.0 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.922 0.889 . . . . 74.299999999999997 111.202 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -65.5 -48.18 73.45 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.018 0.927 . . . . 73.239999999999995 111.029 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -74.09 -47.64 35.05 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.869 0.868 . . . . 71.530000000000001 112.477 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 24' ' ' ASP . 51.9 mt -53.15 -48.48 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 124.385 1.074 . . . . 72.420000000000002 112.518 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -62.24 -29.71 70.59 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.868 0.867 . . . . 74.530000000000001 112.386 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -79.36 -24.91 42.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.473 0.709 . . . . 71.420000000000002 112.242 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -83.38 -61.51 1.83 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.941 0.496 . . . . 74.340000000000003 111.202 -175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.5 ' O ' HG21 ' A' ' 41' ' ' ILE . . . -99.61 50.34 1.15 Allowed Glycine 0 C--N 1.348 1.211 0 CA-C-N 116.106 -0.497 . . . . 63.25 113.268 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -51.25 -20.97 1.83 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 115.774 1.768 . . . . 74.049999999999997 115.774 -171.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -58.12 147.81 28.67 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.964 0.906 . . . . 71.109999999999999 112.521 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HZ3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -101.35 75.01 1.59 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.835 -0.54 . . . . 75.409999999999997 110.892 -176.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 m -93.46 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 CA-C-O 121.934 0.874 . . . . 74.219999999999999 111.16 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.69 107.78 2.25 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.33 -0.85 . . . . 52.43 113.007 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 117.74 9.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.118 0.567 . . . . 75.530000000000001 110.795 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -87.3 -173.8 4.56 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.42 0.688 . . . . 74.209999999999994 111.963 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -58.65 104.25 0.21 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.194 0.998 . . . . 74.450000000000003 112.906 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 14' ' ' SER . 39.0 m -135.63 62.29 1.63 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.325 0.65 . . . . 62.439999999999998 111.613 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 61.84 7.68 2.11 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.942 1.297 . . . . 72.439999999999998 114.362 171.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mptt 61.22 172.42 0.11 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 123.753 0.821 . . . . 74.239999999999995 111.805 -163.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -157.43 143.95 17.98 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.18 0.592 . . . . 75.349999999999994 110.663 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -73.5 86.97 1.58 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.638 0.732 . . . . 72.319999999999993 109.889 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.53 132.27 44.46 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.935 -1.03 . . . . 72.540000000000006 110.819 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.39 91.86 0.77 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.544 -0.91 . . . . 72.439999999999998 108.544 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.51 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.0 t-20 -156.59 154.82 30.81 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.715 0.806 . . . . 73.319999999999993 109.907 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.7 tt -93.12 -34.54 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.712 0.405 . . . . 73.329999999999998 112.016 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.579 2.059 0 C-N-CA 125.167 1.387 . . . . 73.120000000000005 112.075 -173.614 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tmm? . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.337 -0.616 . . . . 75.400000000000006 109.337 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.22 33.39 4.31 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 114.912 0.725 . . . . 74.409999999999997 114.912 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 66.32 166.64 0.21 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 125.421 1.488 . . . . 74.530000000000001 113.373 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -135.16 -65.52 0.61 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.649 0.78 . . . . 73.209999999999994 111.234 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -163.11 149.37 12.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 112.469 0.544 . . . . 71.319999999999993 112.469 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -149.84 101.4 3.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.924 0.89 . . . . 74.030000000000001 109.888 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -159.37 2.45 0.09 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.242 0.617 . . . . 75.230000000000004 112.403 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.4 98.16 0.33 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.546 0.739 . . . . 74.109999999999999 110.467 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t -160.49 177.89 10.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.499 0.72 . . . . 71.010000000000005 111.19 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -132.73 112.11 11.71 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.902 0.881 . . . . 73.239999999999995 110.955 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.1 tpt -168.27 71.03 0.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 123.383 0.673 . . . . 70.140000000000001 111.59 176.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -135.64 105.05 6.01 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.772 0.829 . . . . 74.329999999999998 110.178 168.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -153.39 58.0 0.76 Allowed 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 121.929 0.871 . . . . 63.439999999999998 110.054 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 t -165.85 146.84 6.85 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.243 -0.89 . . . . 73.099999999999994 110.489 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -149.76 148.59 29.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.171 0.588 . . . . 75.340000000000003 110.697 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 59.42 73.39 0.48 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.314 1.046 . . . . 74.129999999999995 111.882 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 141.56 28.72 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.526 -0.761 . . . . 74.340000000000003 110.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 62.25 87.65 0.1 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.676 1.19 . . . . 74.120000000000005 110.665 -170.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.73 12.08 0.78 Allowed 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 115.383 -0.826 . . . . 65.409999999999997 111.735 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -117.79 97.08 5.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.713 0.805 . . . . 74.230000000000004 110.732 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.8 mt -82.36 87.62 6.59 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.905 0.482 . . . . 73.340000000000003 110.596 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -68.44 175.15 3.55 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.856 0.862 . . . . 75.200000000000003 111.83 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -55.47 -42.57 74.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.545 0.738 . . . . 70.299999999999997 112.148 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' HB2' HG13 ' A' ' 37' ' ' VAL . 4.9 m-20 -77.78 -28.79 50.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 74.209999999999994 112.369 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 9.9 mm-40 -60.1 -38.17 82.17 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.893 0.477 . . . . 63.100000000000001 110.498 172.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.26 -45.89 89.99 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.408 0.683 . . . . 74.530000000000001 110.835 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -66.82 -35.24 79.6 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.381 -0.827 . . . . 74.329999999999998 111.309 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -44.62 76.16 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.173 0.989 . . . . 75.420000000000002 112.271 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 24.4 mmtp -74.68 -24.53 58.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.658 0.383 . . . . 73.129999999999995 110.891 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.63 69.14 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.585 0.754 . . . . 73.510000000000005 111.434 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD12 HD22 ' A' ' 64' ' ' LEU . 96.7 mt -92.24 -9.46 42.11 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.733 . . . . 73.420000000000002 112.716 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 65.3 58.56 0.85 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 124.724 1.21 . . . . 75.400000000000006 112.338 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.586 HG21 ' H ' ' A' ' 35' ' ' PHE . 35.8 mm -75.22 126.51 87.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 123.012 0.525 . . . . 74.430000000000007 110.327 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.81 -4.1 13.37 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.314 2.676 . . . . 72.349999999999994 114.35 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.586 ' H ' HG21 ' A' ' 33' ' ' ILE . 39.5 m-85 -115.82 158.99 40.76 Favored Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.577 1.151 . . . . 74.310000000000002 110.733 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.557 ' HD3' ' HD2' ' A' ' 83' ' ' LYS . 79.7 Cg_endo -79.52 143.63 17.23 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 121.864 1.71 . . . . 75.310000000000002 111.3 162.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 24' ' ' ASP . 76.2 t -56.53 -36.03 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.728 0.811 . . . . 74.239999999999995 111.861 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -50.81 -51.59 49.39 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.867 0.867 . . . . 74.239999999999995 111.608 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.64 -43.74 83.81 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.769 0.655 . . . . 63.32 112.769 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 35' ' ' PHE . 49.7 mt -62.32 -29.19 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 118.794 0.725 . . . . 73.150000000000006 111.783 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -69.25 -46.25 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.729 0.412 . . . . 74.349999999999994 111.101 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -92.45 0.28 57.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.623 0.972 . . . . 63.43 113.623 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.3 122.71 68.33 Favored Pre-proline 0 N--CA 1.479 1.009 0 N-CA-C 108.953 -0.758 . . . . 73.420000000000002 108.953 171.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.71 132.85 54.58 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.392 2.061 . . . . 74.230000000000004 111.596 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 HH11 ' A' ' 69' ' ' ARG . 76.9 t -52.37 -31.32 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.841 0.856 . . . . 73.010000000000005 112.265 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.08 -52.54 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 122.945 0.498 . . . . 53.299999999999997 111.154 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.99 -38.64 89.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.843 0.857 . . . . 70.310000000000002 111.756 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.74 -37.32 65.12 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.607 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.56 -32.42 62.41 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 112.043 0.386 . . . . 63.119999999999997 112.043 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.4 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.294 0.637 . . . . 73.129999999999995 110.49 173.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.9 ttm -69.52 -54.85 12.16 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.085 -0.961 . . . . 74.340000000000003 110.446 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.12 -28.72 68.1 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.264 1.426 . . . . 61.030000000000001 113.604 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -59.25 -29.78 67.8 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.2 0.6 . . . . 51.530000000000001 112.547 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.39 -47.19 4.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.559 0.743 . . . . 73.019999999999996 110.798 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.07 83.59 2.93 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.426 0.69 . . . . 64.420000000000002 110.089 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.34 160.72 30.67 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.352 -0.84 . . . . 75.450000000000003 113.061 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -135.51 168.07 19.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.946 0.898 . . . . 72.040000000000006 110.473 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.74 157.43 37.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.256 0.622 . . . . 63.119999999999997 110.718 171.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.04 -40.99 74.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.57 0.748 . . . . 63.020000000000003 112.732 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.81 -37.24 79.09 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.767 0.827 . . . . 73.120000000000005 112.001 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.51 -42.65 95.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.378 0.671 . . . . 75.329999999999998 111.436 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 99.4 mt -64.38 -38.13 89.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.538 0.735 . . . . 63.25 112.046 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.48 83.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.063 0.545 . . . . 74.140000000000001 111.772 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -69.6 -43.18 73.32 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.299 0.639 . . . . 74.530000000000001 111.774 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.73 -34.16 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.632 0.773 . . . . 73.010000000000005 111.966 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 86.1 mtt180 -61.83 -40.24 94.62 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.216 0.606 . . . . 75.340000000000003 111.422 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.2 -45.78 58.92 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.561 0.744 . . . . 70.040000000000006 111.19 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -47.42 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 C-N-CA 123.679 0.792 . . . . 75.430000000000007 111.911 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 HH11 HG12 ' A' ' 45' ' ' VAL . 68.8 mtm180 -65.42 -29.16 69.81 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.803 0.441 . . . . 72.409999999999997 111.757 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -68.51 -24.68 64.69 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.083 0.553 . . . . 72.239999999999995 111.296 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -77.95 -10.69 59.71 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.297 0.639 . . . . 73.219999999999999 111.548 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.94 76.88 0.55 Allowed Glycine 0 C--N 1.351 1.377 0 C-N-CA 123.202 0.429 . . . . 71.239999999999995 113.4 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.81 -26.26 15.72 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.654 0.782 . . . . 75.420000000000002 110.0 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -85.44 77.67 9.87 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.872 0.869 . . . . 74.549999999999997 111.549 -173.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -91.59 23.86 3.32 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.513 0.725 . . . . 72.219999999999999 110.896 170.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.87 -51.64 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.477 1.111 . . . . 74.150000000000006 110.253 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.79 121.75 8.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.152 0.981 . . . . 70.230000000000004 110.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.55 86.17 2.64 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.975 0.51 . . . . 71.420000000000002 111.084 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -77.73 87.07 3.99 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.768 0.794 . . . . 74.340000000000003 111.089 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -102.3 85.45 2.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.516 0.674 . . . . 70.420000000000002 110.189 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.88 121.9 20.76 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.279 -0.873 . . . . 72.420000000000002 110.855 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -64.72 113.07 3.52 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.102 0.561 . . . . 74.109999999999999 110.704 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.565 ' HB2' ' HZ1' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -61.34 144.54 53.8 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.682 0.793 . . . . 71.420000000000002 113.103 -170.344 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -143.56 -35.41 0.38 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.415 0.686 . . . . 74.230000000000004 111.272 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? 74.55 129.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.079 1.352 . . . . 72.340000000000003 112.036 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.09 141.49 58.75 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.242 1.017 . . . . 70.549999999999997 113.696 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.9 -16.9 57.87 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.323 1.049 . . . . 72.430000000000007 112.792 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -58.37 108.69 0.65 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.723 0.809 . . . . 72.319999999999993 112.921 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.1 mt 74.93 -56.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.543 1.537 . . . . 63.530000000000001 113.042 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 CA--C 1.564 1.503 0 C-N-CA 123.701 0.8 . . . . 71.230000000000004 111.374 178.44 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.568 -0.16 . . . . 74.230000000000004 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.28 0.94 4.42 Favored Glycine 0 N--CA 1.476 1.365 0 CA-C-O 119.871 -0.405 . . . . 72.209999999999994 113.932 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -78.5 86.24 4.54 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.507 0.67 . . . . 70.019999999999996 110.984 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -106.22 121.11 43.53 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.741 0.816 . . . . 64.209999999999994 109.888 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -72.99 113.49 10.08 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.12 0.486 . . . . 74.420000000000002 110.841 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -151.9 -69.02 0.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.088 0.955 . . . . 74.109999999999999 110.668 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 57.41 -82.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.636 1.174 . . . . 70.549999999999997 111.204 -169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -161.01 166.7 27.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.653 0.781 . . . . 75.299999999999997 111.46 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -136.06 155.96 49.44 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.627 0.771 . . . . 71.409999999999997 110.289 173.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.66 52.66 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.894 0.855 . . . . 73.439999999999998 109.789 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.1 ttp -76.5 81.76 3.2 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.838 -1.074 . . . . 72.310000000000002 110.049 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -155.37 81.21 1.05 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.87 -1.059 . . . . 74.310000000000002 108.818 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -125.72 79.26 1.81 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.821 -0.807 . . . . 75.329999999999998 108.821 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t 52.73 75.7 0.23 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.056 0.942 . . . . 74.25 110.39 -169.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 m -70.35 78.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.608 0.763 . . . . 74.430000000000007 112.156 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -123.46 -13.16 7.65 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.165 0.986 . . . . 64.510000000000005 111.393 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -147.74 154.6 40.74 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.465 0.543 . . . . 74.25 112.465 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 49.03 57.78 6.08 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.755 1.622 . . . . 61.450000000000003 114.109 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 13.38 6.33 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.681 0.792 . . . . 74.25 112.635 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 59.3 75.62 0.39 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.449 1.1 . . . . 71.120000000000005 111.084 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -78.68 91.24 4.63 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 114.831 -1.077 . . . . 75.439999999999998 111.693 -172.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 p -71.78 173.67 7.9 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.733 -0.667 . . . . 74.140000000000001 110.58 170.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.22 75.98 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.146 0.974 . . . . 74.540000000000006 109.657 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.52 -41.21 63.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 113.463 -1.699 . . . . 73.510000000000005 111.1 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.96 -38.91 87.58 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.65 0.78 . . . . 72.340000000000003 111.636 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.03 -50.23 67.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.482 0.713 . . . . 74.519999999999996 111.898 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -69.75 -30.79 68.47 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.879 0.472 . . . . 75.010000000000005 111.702 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -54.06 29.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.259 0.624 . . . . 73.439999999999998 111.046 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.12 -23.2 64.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.429 0.692 . . . . 73.439999999999998 111.76 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.59 85.08 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.301 0.64 . . . . 63.210000000000001 111.566 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD11 HD22 ' A' ' 64' ' ' LEU . 32.5 mt -83.74 4.21 29.87 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.521 0.728 . . . . 75.340000000000003 112.121 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 59.52 49.01 9.02 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.912 1.285 . . . . 73.109999999999999 112.148 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.2 119.96 71.26 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 108.527 -0.916 . . . . 75.519999999999996 108.527 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.16 -3.81 13.64 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.5 2.133 . . . . 72.530000000000001 113.928 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.513 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 23.1 m-85 -123.29 156.84 62.9 Favored Pre-proline 0 CA--C 1.56 1.331 0 C-N-CA 124.12 0.968 . . . . 74.109999999999999 110.395 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 158.19 55.31 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 121.844 1.696 . . . . 71.319999999999993 112.673 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.72 -44.37 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 124.56 1.144 . . . . 73.420000000000002 112.719 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.01 -34.01 69.56 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.362 0.665 . . . . 73.219999999999999 112.224 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 62.7 tttp -71.73 -39.98 69.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.932 0.493 . . . . 75.140000000000001 112.057 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -42.95 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 121.129 0.49 . . . . 73.140000000000001 110.138 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.2 -37.6 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.993 0.917 . . . . 75.129999999999995 111.088 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -76.85 -31.59 56.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.673 0.789 . . . . 74.409999999999997 112.138 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.78 113.22 30.57 Favored Pre-proline 0 N--CA 1.483 1.2 0 C-N-CA 123.703 0.801 . . . . 73.129999999999995 111.732 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.98 163.21 34.71 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.631 2.221 . . . . 73.420000000000002 111.834 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.02 -40.14 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.943 0.497 . . . . 72.129999999999995 112.267 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.68 -51.11 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 C-N-CA 123.027 0.531 . . . . 63.439999999999998 111.517 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.11 -35.15 76.26 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.891 0.876 . . . . 73.099999999999994 111.619 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CZ ' HG23 ' A' ' 65' ' ' ILE . 28.0 t80 -74.73 -32.75 62.21 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.667 -0.697 . . . . 71.230000000000004 111.793 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -46.12 89.83 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.879 0.472 . . . . 70.310000000000002 110.076 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.61 -46.63 89.02 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.081 0.952 . . . . 72.140000000000001 111.237 172.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.443 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 1.7 tpt -60.98 -39.23 88.81 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.54 0.736 . . . . 75.109999999999999 111.953 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 47.2 ttp -76.61 -30.52 56.96 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.526 1.131 . . . . 71.319999999999993 111.807 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 m -64.03 -34.0 77.03 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.032 0.533 . . . . 73.420000000000002 111.612 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -87.87 -52.57 5.21 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.296 0.638 . . . . 72.25 109.782 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.73 111.94 23.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 73.319999999999993 111.013 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -81.1 114.4 19.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.205 0.602 . . . . 74.420000000000002 110.725 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -101.1 170.14 8.47 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.297 0.639 . . . . 75.409999999999997 111.212 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -85.09 158.85 20.31 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.039 0.536 . . . . 73.420000000000002 110.494 172.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.48 -34.73 78.96 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.779 0.432 . . . . 75.5 111.88 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.35 71.21 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.305 0.642 . . . . 70.239999999999995 111.538 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.9 -54.14 35.44 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.963 0.505 . . . . 72.109999999999999 110.678 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.51 -33.15 67.75 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.972 0.909 . . . . 75.120000000000005 112.359 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -57.46 -58.7 7.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.507 0.723 . . . . 74.099999999999994 111.184 174.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.577 HD22 HD11 ' A' ' 31' ' ' LEU . 45.9 tp -66.29 -39.2 89.2 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.831 -0.622 . . . . 73.239999999999995 111.924 -177.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG23 ' CZ ' ' A' ' 48' ' ' PHE . 69.3 mt -54.71 -46.61 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.795 0.838 . . . . 64.439999999999998 111.664 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.538 HH21 ' HA ' ' A' ' 63' ' ' ALA . 84.9 mtm180 -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.478 -0.328 . . . . 74.239999999999995 111.534 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -62.16 -44.57 96.32 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.291 0.636 . . . . 73.5 111.936 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.66 -41.84 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.238 1.015 . . . . 62.5 111.279 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -73.67 -31.05 63.27 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 112.398 0.518 . . . . 73.219999999999999 112.398 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 45.4 mtm105 -64.22 -45.25 89.06 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.098 0.475 . . . . 71.349999999999994 110.266 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -65.67 -31.54 72.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.498 1.119 . . . . 74.209999999999994 111.64 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.4 -54.38 38.16 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.648 -0.705 . . . . 73.120000000000005 114.084 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -137.63 -81.95 0.34 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.989 0.516 . . . . 74.420000000000002 109.818 172.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -175.81 133.18 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.46 1.104 . . . . 73.329999999999998 109.389 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.646 ' HZ2' ' HB3' ' A' ' 75' ' ' LYS . 9.0 mtpm? -106.26 110.31 22.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.71 0.404 . . . . 74.310000000000002 110.461 174.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.56 -56.52 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.566 0.746 . . . . 71.400000000000006 110.642 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.58 172.51 12.7 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.755 0.822 . . . . 75.409999999999997 111.521 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.65 152.49 18.95 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.772 0.829 . . . . 64.040000000000006 111.615 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.95 133.66 43.49 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.686 0.795 . . . . 72.230000000000004 109.949 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -119.94 25.99 9.58 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.227 0.611 . . . . 73.409999999999997 110.84 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.2 t -62.76 129.49 40.74 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.698 0.799 . . . . 64.319999999999993 112.808 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -163.83 159.77 21.53 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.379 1.071 . . . . 71.329999999999998 110.074 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -95.43 169.34 10.13 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.607 0.595 . . . . 74.319999999999993 112.607 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.61 86.54 0.47 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 107.902 -1.148 . . . . 74.420000000000002 107.902 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -141.67 -11.68 0.9 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.137 0.575 . . . . 74.420000000000002 112.127 -169.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.5 76.48 6.11 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 121.696 0.76 . . . . 73.519999999999996 111.797 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.37 162.79 30.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.411 1.084 . . . . 73.120000000000005 109.936 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -127.77 147.2 50.41 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.195 0.521 . . . . 73.420000000000002 111.347 -173.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.2 tp -124.19 144.28 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 124.496 1.118 . . . . 73.140000000000001 108.939 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.576 1.947 0 C-N-CA 124.779 1.232 . . . . 64.540000000000006 111.248 -174.848 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.498 1.954 0 N-CA-C 112.147 0.425 . . . . 74.310000000000002 112.147 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.03 103.85 1.07 Allowed Glycine 0 C--N 1.353 1.497 0 N-CA-C 114.709 0.644 . . . . 73.030000000000001 114.709 -173.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -126.61 105.44 8.72 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.132 0.973 . . . . 72.430000000000007 109.889 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -148.19 101.44 3.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.21 0.604 . . . . 71.430000000000007 110.341 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -77.09 159.56 29.72 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.079 0.552 . . . . 73.430000000000007 111.757 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -127.6 140.4 52.13 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.817 0.847 . . . . 73.5 110.239 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -77.01 119.98 21.48 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.403 0.681 . . . . 61.219999999999999 111.922 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -100.43 139.8 35.59 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.88 0.872 . . . . 73.219999999999999 110.149 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -168.29 67.47 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 74.030000000000001 111.341 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -80.12 80.79 6.5 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 109.365 -0.606 . . . . 64.310000000000002 109.365 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.2 ttm -93.05 -39.06 11.3 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.398 0.679 . . . . 73.010000000000005 111.232 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -59.81 117.61 5.21 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.686 0.795 . . . . 73.299999999999997 111.669 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -77.02 133.08 39.22 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.279 0.632 . . . . 73.310000000000002 111.579 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.9 m -97.26 95.15 7.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.2 0.6 . . . . 73.409999999999997 110.154 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.5 p -154.27 122.07 5.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.485 0.714 . . . . 72.209999999999994 110.219 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -70.13 130.83 43.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.957 0.503 . . . . 75.239999999999995 111.125 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.4 158.77 43.93 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.521 0.728 . . . . 73.140000000000001 109.687 170.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.88 126.84 31.51 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 108.946 -0.761 . . . . 73.209999999999994 108.946 170.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB2' ' HA ' ' A' ' 80' ' ' ASN . . . -69.75 148.51 49.09 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.526 0.33 . . . . 74.409999999999997 111.56 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -67.95 90.97 0.32 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.721 0.808 . . . . 73.120000000000005 112.946 -164.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.77 92.59 2.51 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.574 -0.739 . . . . 74.140000000000001 110.981 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -81.22 175.91 10.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.089 0.956 . . . . 73.030000000000001 111.061 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -49.92 -51.38 41.37 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.901 0.88 . . . . 71.230000000000004 112.291 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -61.75 -44.27 97.22 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.881 1.272 . . . . 72.109999999999999 112.636 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.45 -34.69 74.37 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.304 0.641 . . . . 73.129999999999995 112.215 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.58 -33.1 66.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.486 0.715 . . . . 73.120000000000005 111.629 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -71.1 -35.58 71.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.417 0.687 . . . . 73.010000000000005 110.837 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.78 95.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.802 0.841 . . . . 73.340000000000003 110.983 174.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.77 -40.34 79.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.583 0.753 . . . . 75.299999999999997 111.481 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.16 94.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.765 0.826 . . . . 74.019999999999996 112.677 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.64 -5.09 52.22 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.362 0.665 . . . . 74.239999999999995 112.245 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m80 61.84 58.76 1.87 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.245 1.018 . . . . 75.129999999999995 112.046 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.617 HG21 ' H ' ' A' ' 35' ' ' PHE . 28.8 mm -70.48 130.8 88.72 Favored Pre-proline 0 CA--C 1.561 1.402 0 CA-C-N 115.371 -0.831 . . . . 75.420000000000002 109.774 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -55.98 -23.8 45.18 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.096 2.531 . . . . 72.219999999999999 114.451 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.617 ' H ' HG21 ' A' ' 33' ' ' ILE . 37.5 m-85 -113.69 161.35 28.02 Favored Pre-proline 0 CA--C 1.563 1.448 0 C-N-CA 123.967 0.907 . . . . 74.219999999999999 112.259 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.86 165.25 31.71 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.831 2.354 . . . . 74.329999999999998 111.975 162.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.65 -42.32 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 122.814 0.446 . . . . 72.040000000000006 111.778 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.64 -35.66 31.63 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.994 0.918 . . . . 75.319999999999993 112.058 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HE3' HD12 ' A' ' 43' ' ' LEU . 59.0 tptt -62.29 -51.95 65.66 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.862 0.865 . . . . 74.040000000000006 111.409 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -36.7 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 123.109 0.563 . . . . 75.099999999999994 110.996 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.505 HD13 ' H ' ' A' ' 74' ' ' ASN . 80.3 mt -62.5 -44.55 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.311 0.645 . . . . 71.319999999999993 111.458 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.19 -41.41 49.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.134 0.574 . . . . 75.450000000000003 112.003 -173.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.576 HD12 ' HE3' ' A' ' 39' ' ' LYS . 90.7 mt -64.98 112.71 8.74 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 123.442 0.697 . . . . 71.099999999999994 111.778 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.1 151.49 81.54 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.367 2.045 . . . . 63.549999999999997 111.304 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -39.1 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 123.719 0.808 . . . . 73.040000000000006 112.767 -170.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -59.61 -53.34 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.11 0.564 . . . . 73.129999999999995 112.268 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.96 -35.98 77.38 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.39 0.676 . . . . 74.010000000000005 111.876 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -68.98 -35.55 76.84 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.035 -0.53 . . . . 74.349999999999994 111.23 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -38.29 82.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.094 0.557 . . . . 75.209999999999994 111.671 175.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.4 -41.97 75.7 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.79 0.436 . . . . 63.43 111.248 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.9 ttm -59.38 -42.88 92.72 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.555 0.742 . . . . 73.099999999999994 111.354 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.8 ttp -72.94 -29.72 63.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.986 1.315 . . . . 74.129999999999995 111.792 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.3 t -69.88 -37.78 76.14 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.519 0.727 . . . . 71.519999999999996 111.453 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 9.2 mtmp? -77.43 -52.94 8.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.706 0.765 . . . . 75.329999999999998 110.049 174.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -105.9 80.19 1.5 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.582 -1.19 . . . . 64.239999999999995 109.258 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.5 104.31 2.29 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.745 -0.662 . . . . 72.109999999999999 110.965 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.69 166.08 23.93 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.522 0.729 . . . . 74.510000000000005 111.041 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.81 152.52 45.2 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.045 0.538 . . . . 74.540000000000006 109.98 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.01 -30.04 70.06 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.062 0.764 . . . . 70.319999999999993 113.062 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.31 67.17 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.443 0.697 . . . . 72.140000000000001 111.377 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.32 -44.2 97.06 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.488 0.715 . . . . 73.329999999999998 111.3 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.11 -35.49 80.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.153 0.981 . . . . 72.120000000000005 111.53 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.4 80.07 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.363 0.665 . . . . 70.450000000000003 112.12 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -67.57 -41.4 84.21 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.985 0.514 . . . . 74.200000000000003 110.765 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.53 -38.56 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 C-N-CA 123.627 0.771 . . . . 73.120000000000005 111.53 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.68 -51.09 68.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.116 0.484 . . . . 74.209999999999994 110.072 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.5 -50.74 70.9 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 114.597 -1.183 . . . . 71.219999999999999 111.625 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.5 -39.53 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 C-N-CA 123.933 0.893 . . . . 73.510000000000005 112.049 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -71.95 -48.33 46.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.463 0.705 . . . . 75.329999999999998 112.12 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.07 -29.07 69.93 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.522 0.729 . . . . 75.409999999999997 111.753 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -81.16 -46.2 15.24 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.338 0.655 . . . . 72.430000000000007 111.724 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.13 56.28 23.13 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.623 -0.591 . . . . 74.319999999999993 111.623 -169.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' HZ1' ' HA ' ' A' ' 76' ' ' VAL . 11.7 tmtt? -59.2 -44.22 92.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.434 1.094 . . . . 73.219999999999999 113.157 -164.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.505 ' H ' HD13 ' A' ' 41' ' ' ILE . 8.6 t30 61.55 -75.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.288 1.435 . . . . 70.230000000000004 113.85 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.35 83.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.892 0.877 . . . . 63.030000000000001 112.855 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.565 ' HA ' ' HZ1' ' A' ' 73' ' ' LYS . 40.6 t -84.36 -28.31 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 C-N-CA 123.656 0.783 . . . . 74.219999999999999 109.521 169.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 70.37 149.97 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.591 1.556 . . . . 74.540000000000006 113.387 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.16 -174.91 0.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.472 1.109 . . . . 75.540000000000006 112.143 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -104.48 108.52 19.98 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 121.74 -0.6 . . . . 63.409999999999997 110.485 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.673 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . 45.1 m-20 -82.33 91.21 6.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.233 0.539 . . . . 64.129999999999995 110.887 175.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -73.33 143.57 46.87 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.245 -0.889 . . . . 74.209999999999994 110.639 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 134.65 45.41 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.147 0.499 . . . . 73.25 112.152 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -136.45 -179.82 5.91 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.284 0.634 . . . . 75.530000000000001 111.358 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -101.75 -176.52 3.16 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.585 0.754 . . . . 74.439999999999998 110.639 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.85 91.42 0.64 Allowed 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.951 -0.568 . . . . 74.530000000000001 109.924 168.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.18 108.98 1.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.786 0.834 . . . . 75.230000000000004 110.508 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.7 144.46 57.01 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.275 0.63 . . . . 74.329999999999998 111.527 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -76.94 83.19 3.48 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.812 -0.631 . . . . 72.439999999999998 110.714 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.5 tt -72.03 156.72 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 123.709 0.804 . . . . 75.219999999999999 110.026 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.517 0.727 . . . . 74.129999999999995 112.691 175.445 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.637 -0.505 . . . . 72.409999999999997 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.12 143.91 10.43 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-O 120.098 -0.279 . . . . 73.030000000000001 113.132 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 m80 64.18 20.43 12.18 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 124.879 1.272 . . . . 63.149999999999999 113.263 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -75.26 118.65 18.4 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.959 0.409 . . . . 75.310000000000002 111.596 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -73.93 108.01 6.5 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.908 -0.587 . . . . 74.019999999999996 110.298 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -52.98 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.676 1.19 . . . . 72.239999999999995 112.484 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -106.84 26.35 10.16 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.681 0.792 . . . . 75.25 111.237 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -128.92 21.39 5.86 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.05 0.94 . . . . 72.219999999999999 110.442 171.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 m -84.14 126.69 33.35 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.932 0.893 . . . . 75.540000000000006 111.658 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -106.53 148.96 27.62 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.629 0.772 . . . . 75.230000000000004 111.04 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.434 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.4 pmm? -125.62 3.74 7.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.189 0.995 . . . . 74.150000000000006 111.152 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -79.68 125.68 29.95 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.729 0.812 . . . . 73.349999999999994 112.246 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -172.42 128.43 0.55 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.23 1.012 . . . . 73.439999999999998 110.852 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.8 m -104.98 113.08 26.46 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.733 0.813 . . . . 74.450000000000003 110.794 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.0 p -79.34 126.08 30.34 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.817 0.847 . . . . 74.019999999999996 111.713 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -100.14 150.74 22.18 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.342 0.657 . . . . 72.099999999999994 111.015 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.62 119.85 18.42 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.431 -0.581 . . . . 74.549999999999997 109.431 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.74 89.94 1.38 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.621 0.769 . . . . 75.230000000000004 111.352 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.2 11.01 21.82 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.558 0.743 . . . . 70.540000000000006 112.09 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.79 90.24 3.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.141 0.576 . . . . 74.420000000000002 110.307 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.3 90.14 3.21 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.312 0.645 . . . . 72.439999999999998 110.368 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.417 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.3 p -82.77 177.92 8.43 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.551 0.74 . . . . 74.519999999999996 110.663 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -54.87 -42.37 71.95 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.427 0.691 . . . . 75.230000000000004 112.114 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.2 m-20 -76.25 -34.44 59.17 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.043 0.537 . . . . 65.040000000000006 112.296 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.47 -28.26 68.19 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.291 0.567 . . . . 71.409999999999997 111.101 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 22' ' ' THR . 79.1 mt -67.56 -43.79 79.78 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.608 -0.724 . . . . 73.310000000000002 111.66 172.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.7 ptp180 -66.77 -34.8 78.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 122.245 0.218 . . . . 75.129999999999995 110.801 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.33 98.2 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.3 0.64 . . . . 70.140000000000001 111.676 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.82 -36.01 79.9 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.714 0.806 . . . . 70.129999999999995 111.866 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.74 77.14 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.014 0.926 . . . . 73.099999999999994 113.235 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD12 HD22 ' A' ' 64' ' ' LEU . 80.0 mt -108.73 9.26 27.03 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.34 0.656 . . . . 74.299999999999997 112.272 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.7 t60 57.61 59.03 3.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.444 1.098 . . . . 72.329999999999998 112.452 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.523 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.1 mm -69.84 128.1 92.07 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 109.212 -0.662 . . . . 75.439999999999998 109.212 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.23 -1.26 6.87 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.67 2.247 . . . . 73.439999999999998 114.086 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.523 ' H ' HG22 ' A' ' 33' ' ' ILE . 21.7 m-85 -128.03 155.7 77.4 Favored Pre-proline 0 CA--C 1.56 1.355 0 C-N-CA 124.307 1.043 . . . . 70.319999999999993 110.239 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.97 158.16 46.34 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.154 1.902 . . . . 74.0 112.429 165.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG11 HG21 ' A' ' 68' ' ' ILE . 47.8 t -58.44 -40.73 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 C-N-CA 123.999 0.919 . . . . 72.120000000000005 112.001 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -51.18 -36.15 39.75 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.889 0.876 . . . . 74.329999999999998 111.966 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 87.8 tttt -78.57 -38.3 40.57 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.849 0.685 . . . . 63.200000000000003 112.849 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.58 -34.45 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 CA-C-N 118.962 0.801 . . . . 74.209999999999994 110.159 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.24 -30.86 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.552 0.741 . . . . 73.519999999999996 111.551 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -79.03 -22.43 45.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.898 0.479 . . . . 75.140000000000001 111.185 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.04 115.07 65.33 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.927 0.891 . . . . 64.0 109.989 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HG3' ' H ' ' A' ' 76' ' ' VAL . 13.7 Cg_exo -67.51 168.34 18.37 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.53 2.153 . . . . 72.310000000000002 112.257 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 HG22 ' HD2' ' A' ' 69' ' ' ARG . 58.5 t -60.84 -39.33 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 122.637 0.375 . . . . 75.430000000000007 111.441 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.7 -51.41 73.13 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.39 0 CA-C-O 121.239 0.543 . . . . 75.510000000000005 111.677 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.9 m-20 -76.21 -34.14 59.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.909 0.883 . . . . 71.340000000000003 112.272 -174.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -74.82 -38.17 62.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.359 0.664 . . . . 71.140000000000001 111.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.83 -28.32 67.46 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.649 0.38 . . . . 73.519999999999996 111.032 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -46.93 80.53 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.361 0.664 . . . . 73.510000000000005 109.475 171.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 tpt -58.58 -38.67 78.42 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.735 0.814 . . . . 62.030000000000001 111.594 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.0 ttt -72.02 -33.75 68.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.351 0.661 . . . . 75.409999999999997 111.815 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -59.79 -40.09 87.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.027 0.531 . . . . 73.040000000000006 110.757 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -72.99 -55.68 6.2 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.09 -0.504 . . . . 74.140000000000001 111.18 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -123.9 97.0 5.16 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.77 0.828 . . . . 75.420000000000002 110.722 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.564 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.48 136.63 44.19 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.771 0.828 . . . . 72.200000000000003 110.506 -179.375 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -89.56 172.06 9.24 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.247 0.619 . . . . 72.219999999999999 110.399 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -70.02 156.96 38.39 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.973 0.509 . . . . 71.299999999999997 110.392 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.79 -40.52 76.07 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.466 0.706 . . . . 72.439999999999998 112.787 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.52 -36.42 68.32 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.67 0.788 . . . . 54.530000000000001 111.351 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.91 -46.54 84.35 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.063 0.545 . . . . 72.010000000000005 111.249 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.94 -41.46 96.31 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.861 0.865 . . . . 74.129999999999995 111.632 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -46.39 89.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.688 0.795 . . . . 52.119999999999997 111.246 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 HD22 HD12 ' A' ' 31' ' ' LEU . 39.4 tp -63.5 -41.34 98.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.273 -0.876 . . . . 74.209999999999994 112.458 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -32.39 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 124.062 0.945 . . . . 73.329999999999998 111.738 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -67.14 -42.06 85.02 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.196 0.599 . . . . 71.409999999999997 110.927 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -68.21 -29.75 68.66 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.356 1.062 . . . . 73.439999999999998 111.479 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.774 HG21 HG11 ' A' ' 37' ' ' VAL . 42.8 mt -74.66 -39.82 46.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.33 0 C-N-CA 124.017 0.927 . . . . 70.519999999999996 111.051 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 45' ' ' VAL . 58.6 ttp180 -73.06 -36.73 66.94 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.887 0.875 . . . . 72.109999999999999 112.698 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -23.69 67.47 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.819 0.448 . . . . 73.400000000000006 112.077 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.36 -35.66 79.83 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.963 0.905 . . . . 75.150000000000006 109.93 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 163.1 16.26 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 114.296 0.479 . . . . 65.109999999999999 114.296 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -139.52 14.49 2.55 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.961 0.904 . . . . 74.439999999999998 111.397 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.99 138.99 31.49 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.649 0.78 . . . . 71.129999999999995 111.444 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 117.18 19.27 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.485 0.714 . . . . 74.209999999999994 110.916 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.544 ' H ' ' HG3' ' A' ' 44' ' ' PRO . 92.4 t -75.33 -21.92 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.696 0.798 . . . . 75.109999999999999 110.654 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.92 82.38 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.903 0.881 . . . . 74.140000000000001 112.275 -176.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.42 6.48 4.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.689 1.196 . . . . 64.420000000000002 109.804 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -107.23 -177.87 3.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.719 1.208 . . . . 75.010000000000005 110.222 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.49 82.53 7.88 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.567 -0.901 . . . . 70.25 108.567 173.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -18.66 62.61 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 114.261 1.208 . . . . 63.210000000000001 114.261 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -71.75 -13.19 61.64 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.302 0.482 . . . . 75.430000000000007 112.302 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -66.75 117.54 9.03 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.421 -0.585 . . . . 75.420000000000002 109.421 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -64.69 97.84 0.23 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.384 0.673 . . . . 72.519999999999996 112.06 -172.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -121.53 167.81 12.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.601 1.16 . . . . 72.409999999999997 110.113 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.486 ' HB2' HD12 ' A' ' 89' ' ' ILE . 3.7 pp -141.46 132.0 25.4 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.239 0.616 . . . . 74.120000000000005 109.84 172.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -155.63 149.9 25.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 64.109999999999999 111.04 -173.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.55 -37.5 0.36 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.779 1.632 . . . . 71.430000000000007 112.922 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.486 HD12 ' HB2' ' A' ' 86' ' ' LEU . 34.6 pt -68.5 -1.77 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.706 1.202 . . . . 75.540000000000006 112.972 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 CA--C 1.576 1.975 0 C-N-CA 124.768 1.227 . . . . 73.209999999999994 113.001 171.021 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 120.699 0.285 . . . . 72.200000000000003 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.64 52.84 0.03 OUTLIER Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.198 -0.455 . . . . 52.509999999999998 112.703 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -78.55 81.17 4.89 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.103 0.954 . . . . 74.510000000000005 112.12 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -72.69 120.56 18.47 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.24 -0.891 . . . . 74.400000000000006 111.507 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -128.39 91.59 3.27 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.868 0.867 . . . . 70.510000000000005 109.855 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -147.74 108.03 4.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.922 0.889 . . . . 74.230000000000004 109.352 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -155.75 132.84 10.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.101 0.56 . . . . 72.099999999999994 111.022 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -77.17 97.0 4.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.14 0.576 . . . . 74.120000000000005 110.603 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -113.76 -76.58 0.58 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.476 0.71 . . . . 73.219999999999999 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.47 53.65 1.31 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.409 0.684 . . . . 74.340000000000003 110.434 -172.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ptm -66.82 -48.09 69.98 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.446 0.698 . . . . 73.25 112.087 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -85.95 85.15 7.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.782 0.801 . . . . 65.129999999999995 109.634 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -112.15 15.6 20.46 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.233 -0.894 . . . . 73.329999999999998 111.363 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -144.59 128.13 17.05 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.497 0.719 . . . . 74.349999999999994 111.207 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.7 p -139.39 123.59 17.98 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.437 1.095 . . . . 60.240000000000002 108.694 170.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 2.3 mmp_? -125.26 168.84 12.93 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 112.61 0.596 . . . . 75.310000000000002 112.61 -174.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.06 -174.65 4.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.898 -1.046 . . . . 65.409999999999997 111.03 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 71.99 -72.71 0.11 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.177 1.391 . . . . 74.349999999999994 113.792 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.03 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.359 1.464 . . . . 55.329999999999998 113.579 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -100.22 82.68 2.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.11 0.964 . . . . 70.25 110.299 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.7 mt 46.24 68.34 0.62 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.728 1.211 . . . . 75.25 113.532 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -70.3 175.23 4.81 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.539 0.736 . . . . 74.299999999999997 111.827 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' H ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -64.73 -33.98 77.25 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.085 0.469 . . . . 75.420000000000002 109.99 176.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 18.2 m-20 -68.27 -35.79 78.42 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.904 0.882 . . . . 74.409999999999997 111.981 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.84 -35.19 77.54 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.462 0.705 . . . . 74.010000000000005 111.109 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.53 -36.41 76.36 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.567 0.747 . . . . 72.129999999999995 111.747 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.506 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 77.2 mtp180 -67.89 -34.61 76.99 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.62 0.768 . . . . 75.200000000000003 110.668 174.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.99 78.68 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.804 0.842 . . . . 74.25 110.975 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.6 -44.56 96.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.761 0.824 . . . . 75.409999999999997 111.361 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.13 76.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.831 0.852 . . . . 60.399999999999999 112.162 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.04 -6.96 40.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.61 0.764 . . . . 75.409999999999997 112.186 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.8 m80 61.81 58.57 1.93 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.759 1.224 . . . . 75.439999999999998 112.078 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.538 HD13 HD13 ' A' ' 65' ' ' ILE . 23.8 mm -87.71 120.11 70.85 Favored Pre-proline 0 CA--C 1.559 1.317 0 CA-C-N 115.401 -0.818 . . . . 73.209999999999994 109.589 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.65 -37.42 91.19 Favored 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 123.248 2.632 . . . . 73.430000000000007 114.092 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -101.64 139.54 20.46 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 123.881 0.872 . . . . 74.319999999999993 111.064 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.08 164.23 25.88 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.079 2.519 . . . . 71.340000000000003 113.118 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.512 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -60.74 -32.27 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.68 0.792 . . . . 74.140000000000001 111.437 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -52.97 -41.75 64.86 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 123.738 0.815 . . . . 70.239999999999995 111.554 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 mmpt? -73.97 -33.44 63.87 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.327 0.862 . . . . 71.019999999999996 113.327 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 37' ' ' VAL . 3.5 mp -58.56 -40.46 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 119.071 0.85 . . . . 73.25 110.172 173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 73' ' ' LYS . 81.8 mt -77.57 -38.11 25.5 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 C-N-CA 123.67 0.788 . . . . 74.299999999999997 112.316 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -77.95 -40.46 39.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 112.956 0.725 . . . . 74.299999999999997 112.956 -173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.2 135.5 96.2 Favored Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 112.517 0.562 . . . . 73.439999999999998 112.517 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -70.76 150.72 62.55 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 123.285 2.657 . . . . 75.0 113.037 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.01 -53.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 114.084 1.142 . . . . 63.420000000000002 114.084 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 t -62.18 -54.45 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 111.822 0.304 . . . . 74.450000000000003 111.822 -174.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.69 -34.13 76.5 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.67 0.788 . . . . 75.310000000000002 111.615 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.69 -40.07 76.57 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 115.26 -0.882 . . . . 74.549999999999997 111.746 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.95 -35.33 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.925 0.49 . . . . 63.109999999999999 111.133 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' VAL . 30.2 mm-40 -65.76 -31.97 73.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.199 0.599 . . . . 71.129999999999995 111.763 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.8 ttm -67.96 -44.53 76.51 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.978 0.511 . . . . 74.010000000000005 110.877 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.85 -29.55 64.51 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.827 0.451 . . . . 74.540000000000006 112.091 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 t -70.02 -55.49 9.41 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.533 0.733 . . . . 75.010000000000005 111.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -74.94 -51.37 13.92 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.905 -1.043 . . . . 74.340000000000003 110.098 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.12 81.44 8.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.651 -0.87 . . . . 72.040000000000006 108.651 170.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.52 120.32 13.77 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.911 -0.586 . . . . 74.030000000000001 112.071 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -98.52 162.7 13.01 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.579 0.751 . . . . 73.450000000000003 111.213 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -69.76 161.74 29.2 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.131 0.572 . . . . 72.319999999999993 111.315 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.47 -35.07 71.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.101 0.56 . . . . 75.409999999999997 112.199 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.6 76.42 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.786 0.834 . . . . 75.5 111.667 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.57 -51.08 70.04 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.279 0.631 . . . . 75.409999999999997 111.591 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 66' ' ' ARG . 99.1 mt -62.71 -28.16 69.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.197 0.999 . . . . 73.140000000000001 112.974 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.05 85.17 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.123 0.569 . . . . 72.150000000000006 112.258 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.5 tp -76.36 -53.89 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.029 0.531 . . . . 70.420000000000002 110.96 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.538 HD13 HD13 ' A' ' 33' ' ' ILE . 79.9 mt -52.83 -54.49 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.647 1.179 . . . . 74.239999999999995 112.478 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.54 ' HD3' ' HB3' ' A' ' 62' ' ' LEU . 11.3 mtp180 -69.76 -35.46 74.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.081 0.952 . . . . 74.530000000000001 112.863 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.65 -34.93 70.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.153 0.581 . . . . 73.219999999999999 112.455 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 HG21 HG12 ' A' ' 37' ' ' VAL . 62.3 mt -70.42 -30.02 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.714 0.406 . . . . 75.120000000000005 110.178 171.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -72.41 -29.51 63.79 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.318 0.647 . . . . 72.450000000000003 111.711 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 39.1 mmt180 -63.96 -44.38 92.94 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.876 0.47 . . . . 74.239999999999995 111.614 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -75.24 -63.49 1.26 Allowed 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.092 0.557 . . . . 72.329999999999998 111.28 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.83 36.34 61.5 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 115.926 -0.579 . . . . 64.25 113.449 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' HB2' HD13 ' A' ' 41' ' ' ILE . 82.8 tttt 70.17 -60.57 0.48 Allowed 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 126.499 1.92 . . . . 70.209999999999994 113.209 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -76.22 151.25 36.9 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.671 0.789 . . . . 75.129999999999995 111.458 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.45 121.22 30.6 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 73.219999999999999 111.138 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.46 -30.67 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.285 0.634 . . . . 65.219999999999999 110.299 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.45 166.74 0.21 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.496 1.519 . . . . 74.040000000000006 113.342 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.01 92.87 9.4 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.426 0.69 . . . . 70.310000000000002 110.584 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -75.9 -52.39 10.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.871 0.468 . . . . 74.239999999999995 110.523 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -148.79 136.24 20.35 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.825 0.85 . . . . 74.329999999999998 109.619 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 69.2 m -133.43 -98.69 0.27 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 123.053 0.541 . . . . 64.400000000000006 111.209 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -142.48 154.67 44.74 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.879 0.872 . . . . 73.530000000000001 110.226 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -121.71 99.84 6.67 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.613 0.765 . . . . 72.409999999999997 110.418 177.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -76.92 91.1 3.55 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.365 0.602 . . . . 75.530000000000001 111.001 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.598 ' HZ2' ' HB3' ' A' ' 85' ' ' LYS . 6.2 ttpm? -96.91 149.61 21.69 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.159 0.984 . . . . 75.140000000000001 110.74 178.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.83 126.54 29.37 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.917 -0.401 . . . . 74.329999999999998 109.917 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.85 -53.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.067 0.547 . . . . 71.0 111.048 -170.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -75.61 90.29 2.79 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.652 0.781 . . . . 63.109999999999999 110.719 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 tt -137.56 157.36 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 123.904 0.882 . . . . 72.200000000000003 110.075 -174.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 CA--C 1.577 2.019 0 C-N-CA 124.542 1.137 . . . . 73.450000000000003 112.798 -175.221 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 120.242 0.068 . . . . 74.140000000000001 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.29 31.5 19.38 Favored Glycine 0 N--CA 1.479 1.555 0 N-CA-C 113.772 0.269 . . . . 64.140000000000001 113.772 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -86.58 82.39 7.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.686 0.794 . . . . 74.519999999999996 110.48 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -95.0 -19.15 20.44 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.118 0.567 . . . . 73.329999999999998 111.226 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.98 85.12 7.22 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.102 0.477 . . . . 73.239999999999995 110.023 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -144.62 95.34 2.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.222 0.609 . . . . 70.239999999999995 111.509 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -175.19 149.61 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.735 1.214 . . . . 75.150000000000006 110.229 167.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -123.02 17.45 10.05 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.481 0.712 . . . . 74.439999999999998 112.323 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -74.27 81.78 1.85 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.197 0.599 . . . . 65.530000000000001 111.214 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -169.52 -20.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.34 1.056 . . . . 75.030000000000001 111.284 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.1 mtp -81.28 38.22 0.47 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.007 0.923 . . . . 75.150000000000006 112.858 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -77.69 92.69 4.16 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.872 0.844 . . . . 64.510000000000005 111.033 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.8 154.08 51.76 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.824 0.85 . . . . 74.340000000000003 110.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 t -124.4 93.44 3.91 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.584 0.754 . . . . 74.219999999999999 110.226 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.7 m -143.5 102.04 3.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.984 0.914 . . . . 73.310000000000002 109.221 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -73.43 92.07 1.82 Allowed 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 121.854 0.835 . . . . 73.040000000000006 111.359 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.1 133.36 35.27 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 108.436 -0.95 . . . . 75.219999999999999 108.436 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.85 152.78 44.96 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 113.419 0.896 . . . . 75.099999999999994 113.419 -171.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.08 132.92 46.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.439 0.695 . . . . 61.450000000000003 110.006 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.57 64.14 8.47 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.437 0.695 . . . . 62.210000000000001 109.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -53.9 89.8 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.272 1.212 . . . . 72.219999999999999 114.272 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 69.7 p -76.97 166.96 22.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.704 -1.134 . . . . 75.299999999999997 109.954 166.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.36 -23.24 67.22 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.482 0.313 . . . . 74.409999999999997 111.063 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.49 -35.12 79.95 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 123.278 0.631 . . . . 71.120000000000005 111.667 170.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 37' ' ' VAL . 35.3 mt-10 -76.38 -34.86 58.87 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.623 0.369 . . . . 71.510000000000005 111.764 173.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 22' ' ' THR . 85.5 mt -66.95 -42.64 84.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.282 0.633 . . . . 72.25 111.892 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -68.02 -30.45 69.69 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.268 0.627 . . . . 75.340000000000003 111.257 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HA ' HD22 ' A' ' 64' ' ' LEU . . . -64.65 -31.39 72.59 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.719 0.808 . . . . 64.540000000000006 112.529 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.39 -31.65 72.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.259 0.623 . . . . 71.200000000000003 111.829 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.86 93.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.723 0.809 . . . . 73.519999999999996 112.601 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 64' ' ' LEU . 82.3 mt -100.25 -2.03 34.83 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.459 0.704 . . . . 63.210000000000001 112.665 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 60.17 60.98 1.93 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.045 0.938 . . . . 73.439999999999998 111.734 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.14 122.88 85.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 122.891 0.476 . . . . 75.140000000000001 111.052 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -80.64 1.29 9.41 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.155 2.57 . . . . 64.319999999999993 114.896 -174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -114.61 155.43 46.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 C-N-CA 123.109 0.563 . . . . 74.120000000000005 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.05 131.61 44.5 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.015 1.81 . . . . 72.319999999999993 111.114 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 25' ' ' GLU . 79.7 t -62.22 -35.34 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.177 0.591 . . . . 72.200000000000003 111.512 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.24 -49.41 69.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.598 0.759 . . . . 70.109999999999999 111.288 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.11 -34.0 72.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.773 0.829 . . . . 74.129999999999995 111.841 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.86 -39.75 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 C-N-CA 122.917 0.487 . . . . 71.25 111.32 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.15 -29.32 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 123.062 0.545 . . . . 64.340000000000003 111.004 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -39.94 18.76 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.506 0.722 . . . . 72.409999999999997 112.531 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.0 126.6 81.78 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 122.896 0.478 . . . . 70.510000000000005 111.24 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -62.92 149.71 90.68 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.661 2.241 . . . . 72.0 111.697 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.57 -43.28 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 123.41 0.684 . . . . 75.530000000000001 111.816 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.98 -45.64 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.512 0.725 . . . . 72.239999999999995 112.463 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -73.1 -33.8 65.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.395 0.678 . . . . 71.129999999999995 111.391 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.76 -35.14 80.11 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.842 0.857 . . . . 74.109999999999999 110.696 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -64.2 -28.32 69.67 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.358 1.063 . . . . 73.129999999999995 112.966 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.32 -43.19 78.11 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.258 0.552 . . . . 71.530000000000001 110.708 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.0 ttp -66.82 -34.48 77.91 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 70.299999999999997 110.997 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.1 -30.81 66.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.719 1.208 . . . . 72.5 111.593 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 t -65.29 -29.69 70.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.088 0.555 . . . . 72.519999999999996 111.131 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -85.83 -49.63 7.75 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.749 0.819 . . . . 75.349999999999994 109.594 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 101.91 12.73 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.998 0.919 . . . . 71.209999999999994 110.017 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -68.97 112.38 5.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.838 0.455 . . . . 75.109999999999999 112.169 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.47 148.51 25.43 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.479 0.712 . . . . 74.409999999999997 109.989 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -72.13 168.4 18.25 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.989 0.516 . . . . 74.010000000000005 111.967 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -48.02 82.41 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.89 1.07 . . . . 74.519999999999996 113.89 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.62 -29.45 56.49 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.097 0.559 . . . . 60.130000000000003 111.423 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -61.52 -42.11 98.32 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.804 0.842 . . . . 74.209999999999994 110.541 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.26 -33.25 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.001 0.92 . . . . 73.239999999999995 111.85 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.38 93.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.246 0.618 . . . . 75.349999999999994 111.788 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 28' ' ' ALA . 45.0 tp -69.06 -47.37 65.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.145 0.578 . . . . 74.319999999999993 111.764 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.9 -47.38 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.198 0.599 . . . . 74.340000000000003 110.69 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -66.35 -33.49 75.84 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.634 1.174 . . . . 73.010000000000005 111.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -44.09 72.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.341 0.656 . . . . 73.540000000000006 110.396 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.495 HG23 HG11 ' A' ' 37' ' ' VAL . 84.1 mt -65.88 -34.47 70.49 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 124.35 1.06 . . . . 74.340000000000003 111.387 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.07 -38.32 88.35 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.927 0.891 . . . . 75.310000000000002 111.205 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -79.43 -22.48 44.15 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.528 0.731 . . . . 73.450000000000003 112.525 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.78 -64.59 0.82 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.824 0.45 . . . . 71.150000000000006 110.199 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.36 45.56 65.28 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.848 0.718 . . . . 74.430000000000007 113.707 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -76.95 -5.26 47.86 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.244 0.831 . . . . 72.420000000000002 113.244 -173.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -101.53 -2.46 30.55 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.888 0.475 . . . . 74.200000000000003 111.17 171.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HZ1' ' HB3' ' A' ' 75' ' ' LYS . 8.1 mtpm? -83.78 53.27 2.5 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.574 0.75 . . . . 72.400000000000006 110.461 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.48 -28.43 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.447 1.099 . . . . 75.040000000000006 112.846 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.25 120.03 32.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.823 0.849 . . . . 62.329999999999998 110.013 175.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.24 -9.59 58.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.25 0.62 . . . . 72.430000000000007 112.176 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.501 HE21 ' N ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -119.54 144.47 47.04 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.488 1.115 . . . . 70.219999999999999 109.528 178.299 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.9 t30 61.48 133.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 114.949 1.463 . . . . 74.310000000000002 114.949 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.9 77.33 6.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.3 -0.63 . . . . 52.109999999999999 109.3 166.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -74.15 130.52 39.93 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.671 0.788 . . . . 72.519999999999996 111.423 -174.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 64.3 103.7 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.563 1.145 . . . . 75.25 111.54 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -69.52 99.43 1.26 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.042 0.537 . . . . 72.450000000000003 111.168 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -66.27 143.71 57.05 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.598 0.759 . . . . 74.430000000000007 111.059 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -64.18 146.82 53.63 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.803 0.841 . . . . 75.0 112.98 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -121.5 15.94 11.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.145 0.978 . . . . 74.540000000000006 110.937 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -67.49 92.24 0.3 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.216 1.006 . . . . 73.209999999999994 112.026 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.404 HG13 HG22 ' A' ' 90' ' ' VAL . 35.7 pt -95.57 -28.35 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.769 0.827 . . . . 75.439999999999998 111.006 174.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 89' ' ' ILE . 84.6 t . . . . . 0 CA--C 1.56 1.365 0 C-N-CA 124.546 1.138 . . . . 75.519999999999996 109.734 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.669 -0.493 . . . . 75.530000000000001 109.669 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.25 -25.17 76.04 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 114.702 0.641 . . . . 73.299999999999997 114.702 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -95.75 148.47 22.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.213 0.605 . . . . 65.540000000000006 111.831 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.52 147.95 31.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.049 0.94 . . . . 71.420000000000002 112.875 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -160.35 131.73 5.82 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.141 0.976 . . . . 73.439999999999998 110.291 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -90.34 129.99 36.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.062 0.545 . . . . 64.409999999999997 110.669 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -104.43 17.14 24.7 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.057 0.943 . . . . 74.239999999999995 110.35 173.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -74.2 139.93 44.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.427 0.691 . . . . 75.010000000000005 111.432 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.7 m 64.14 22.45 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.555 1.142 . . . . 73.299999999999997 112.635 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -74.12 -20.51 60.23 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.061 0.944 . . . . 75.129999999999995 110.873 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.8 ptm -70.58 127.8 33.92 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.931 0.893 . . . . 75.200000000000003 112.132 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -162.81 -42.7 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.095 0.958 . . . . 74.540000000000006 110.815 171.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.4 t60 65.33 124.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.509 1.524 . . . . 64.200000000000003 113.306 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.7 p -84.79 131.66 34.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.856 0.462 . . . . 74.109999999999999 111.112 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -81.52 -23.56 37.21 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.174 0.511 . . . . 72.549999999999997 111.014 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -96.25 111.01 23.21 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.726 0.81 . . . . 72.420000000000002 110.389 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.56 ' HA ' HD11 ' A' ' 21' ' ' LEU . 2.4 pt? -145.3 178.09 8.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.903 0.881 . . . . 74.109999999999999 111.034 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.5 -77.09 0.06 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.892 1.277 . . . . 72.430000000000007 113.232 176.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.15 102.14 0.06 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.43 1.492 . . . . 63.049999999999997 114.7 -168.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m170 60.91 11.42 3.27 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.21 1.404 . . . . 73.129999999999995 114.711 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 17' ' ' LEU . 54.0 mt -81.04 99.3 8.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.332 0.587 . . . . 73.109999999999999 111.399 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 p -74.19 178.5 5.05 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.464 1.105 . . . . 75.150000000000006 112.144 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -51.93 -42.23 62.65 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.824 0.85 . . . . 75.099999999999994 111.821 171.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.9 m-20 -70.55 -38.46 74.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.661 0.784 . . . . 71.049999999999997 112.361 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.03 -33.04 73.62 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.126 0.57 . . . . 65.420000000000002 111.305 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -74.93 -30.0 61.12 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.295 0.638 . . . . 75.310000000000002 111.918 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 79.0 mtp180 -66.75 -45.47 78.48 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.311 0.644 . . . . 72.5 110.418 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.81 98.58 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.06 0.944 . . . . 74.420000000000002 111.301 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -56.83 -49.26 75.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.11 0.964 . . . . 65.140000000000001 111.912 173.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.65 88.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.855 0.862 . . . . 63.32 112.832 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.91 -4.0 33.9 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.402 0.519 . . . . 74.140000000000001 112.402 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 65.32 60.55 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.489 1.116 . . . . 74.239999999999995 112.599 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' H ' ' A' ' 35' ' ' PHE . 42.4 mm -80.0 129.04 71.74 Favored Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 123.449 0.7 . . . . 74.299999999999997 109.495 173.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.78 -10.59 26.66 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.536 2.157 . . . . 65.209999999999994 114.022 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' H ' HG23 ' A' ' 33' ' ' ILE . 49.4 m-85 -108.16 155.72 39.66 Favored Pre-proline 0 N--CA 1.485 1.322 0 C-N-CA 123.702 0.801 . . . . 61.109999999999999 110.995 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.87 153.62 58.54 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.833 1.689 . . . . 74.409999999999997 110.928 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG11 HG22 ' A' ' 68' ' ' ILE . 46.2 t -57.57 -29.14 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 123.735 0.814 . . . . 75.549999999999997 112.848 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -49.29 -46.39 46.43 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.395 1.078 . . . . 73.109999999999999 112.021 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -41.64 93.03 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.244 0.617 . . . . 75.140000000000001 112.271 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.67 -29.86 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.525 0 C-N-CA 122.768 0.427 . . . . 74.310000000000002 110.594 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.43 -46.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 123.418 0.687 . . . . 72.209999999999994 111.787 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -82.16 -53.09 6.36 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.392 0.677 . . . . 65.150000000000006 112.047 -170.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.43 120.02 40.98 Favored Pre-proline 0 N--CA 1.493 1.68 0 C-N-CA 122.973 0.509 . . . . 73.519999999999996 111.562 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.83 160.42 48.44 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.539 2.159 . . . . 64.140000000000001 112.844 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.03 -38.52 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.618 0.767 . . . . 75.340000000000003 112.726 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.58 -49.67 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 123.08 0.552 . . . . 74.120000000000005 111.635 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.53 -34.73 78.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.574 0.75 . . . . 74.230000000000004 111.638 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.85 -34.36 66.73 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.988 -0.551 . . . . 74.010000000000005 111.812 -175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.08 -40.46 95.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.071 0.549 . . . . 73.030000000000001 110.991 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.54 -35.95 70.82 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.766 0.826 . . . . 74.040000000000006 111.528 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 tpp -66.69 -39.13 87.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.604 0.762 . . . . 75.530000000000001 111.169 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.4 ttp -71.65 -29.71 64.93 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.006 1.323 . . . . 72.319999999999993 111.251 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -63.74 -32.61 74.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.504 0.722 . . . . 72.430000000000007 111.72 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.36 -53.94 5.62 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.343 0.657 . . . . 74.129999999999995 110.967 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.69 87.66 4.76 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 70.420000000000002 109.255 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.99 95.81 0.98 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.425 0.69 . . . . 73.420000000000002 111.248 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -78.04 162.38 26.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.583 0.753 . . . . 75.530000000000001 112.027 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -84.01 159.99 21.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.69 0.796 . . . . 74.420000000000002 110.937 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.42 -38.15 58.39 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 114.301 1.223 . . . . 64.450000000000003 114.301 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.25 66.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.254 0.621 . . . . 75.549999999999997 111.534 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.21 -38.86 80.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.648 0.779 . . . . 71.519999999999996 111.585 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -37.04 81.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.654 0.782 . . . . 75.150000000000006 111.917 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.26 93.31 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.111 0.564 . . . . 64.430000000000007 111.747 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.77 -54.38 23.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.283 0.633 . . . . 73.510000000000005 111.926 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.9 mt -58.92 -38.64 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.961 0.904 . . . . 75.019999999999996 111.696 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -61.83 -41.97 98.45 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.578 0.751 . . . . 71.549999999999997 111.394 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.2 -55.31 22.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.41 0.684 . . . . 63.219999999999999 111.522 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.597 HG22 HG11 ' A' ' 37' ' ' VAL . 76.1 mt -67.17 -36.23 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.817 0.847 . . . . 64.150000000000006 112.18 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -63.93 -45.2 90.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.321 0.648 . . . . 75.329999999999998 110.71 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -71.5 -22.48 61.79 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 115.631 -0.713 . . . . 72.140000000000001 111.432 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -88.45 -10.03 50.49 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 72.200000000000003 110.696 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.39 72.92 1.88 Allowed Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.203 0.43 . . . . 73.430000000000007 114.17 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 60.28 -79.53 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 126.031 1.732 . . . . 64.319999999999993 113.45 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -96.92 11.3 36.42 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.932 0.893 . . . . 72.430000000000007 112.799 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 pttm 45.77 -76.79 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 126.175 1.79 . . . . 74.230000000000004 115.293 -176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.84 -77.67 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.767 0.827 . . . . 70.329999999999998 110.652 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.9 110.08 0.2 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.768 1.227 . . . . 73.319999999999993 109.708 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 69.36 163.42 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.015 1.326 . . . . 73.519999999999996 112.692 -174.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -141.38 8.0 1.98 Allowed 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.378 0.609 . . . . 75.25 111.044 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -103.63 154.12 19.86 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.933 0.893 . . . . 65.510000000000005 109.269 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.6 t 68.87 -74.47 0.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.072 1.349 . . . . 74.519999999999996 111.342 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 57.82 70.78 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.31 1.044 . . . . 74.340000000000003 112.306 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -73.62 110.12 7.66 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.547 -0.751 . . . . 74.430000000000007 110.136 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -72.47 91.25 1.37 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.258 0.552 . . . . 73.329999999999998 110.393 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -130.93 130.73 43.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.94 0.896 . . . . 73.310000000000002 108.839 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.74 175.02 7.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.855 0.462 . . . . 74.099999999999994 111.37 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 69.45 157.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.71 1.204 . . . . 74.040000000000006 111.943 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -80.97 67.47 6.89 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 121.137 0.494 . . . . 75.219999999999999 110.567 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.56 144.1 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.953 0.501 . . . . 72.140000000000001 111.114 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 CA--C 1.569 1.71 0 C-N-CA 123.222 0.609 . . . . 64.439999999999998 111.731 -174.368 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 120.452 0.167 . . . . 74.299999999999997 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.2 27.9 0.99 Allowed Glycine 0 N--CA 1.478 1.449 0 CA-C-O 119.622 -0.543 . . . . 72.040000000000006 113.724 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 38.14 74.33 0.09 Allowed 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 125.83 1.652 . . . . 73.430000000000007 114.413 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -107.97 148.74 29.28 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.584 0.754 . . . . 73.230000000000004 112.514 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.93 108.19 15.49 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.983 0.913 . . . . 74.420000000000002 110.015 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -141.54 101.06 3.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.601 0.761 . . . . 64.019999999999996 109.795 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -151.21 23.65 0.73 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 122.881 0.473 . . . . 73.030000000000001 110.635 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -74.62 95.8 2.88 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.139 0.575 . . . . 75.420000000000002 110.553 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -151.65 154.32 36.16 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.691 0.796 . . . . 74.129999999999995 110.405 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -71.47 134.87 46.87 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.421 0.688 . . . . 75.340000000000003 111.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.8 ttm -152.45 125.29 8.45 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 70.239999999999995 110.448 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.34 -175.59 5.32 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.336 0.654 . . . . 73.120000000000005 111.848 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -75.9 73.18 2.81 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 121.311 0.577 . . . . 74.129999999999995 110.764 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.5 m -147.65 88.24 1.68 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.11 0.964 . . . . 63.219999999999999 110.282 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -95.81 84.44 3.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.997 0.519 . . . . 64.420000000000002 109.942 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -144.78 120.56 10.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.186 0.594 . . . . 75.329999999999998 110.756 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -140.6 -165.68 1.98 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.197 0.999 . . . . 72.329999999999998 110.712 175.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -83.81 154.7 23.38 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.345 1.058 . . . . 72.219999999999999 112.459 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -176.66 6.25 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.47 0.708 . . . . 73.409999999999997 111.008 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 t60 68.1 21.23 8.77 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 124.462 1.105 . . . . 74.099999999999994 112.016 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt -74.31 96.52 2.84 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.844 -0.535 . . . . 73.200000000000003 111.063 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.0 p -75.97 178.54 6.19 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.051 0.94 . . . . 74.099999999999994 112.616 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.72 -39.96 82.34 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.466 0.65 . . . . 74.310000000000002 110.775 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.55 -29.94 67.63 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.382 -0.826 . . . . 74.340000000000003 112.311 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.64 -26.8 68.81 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 122.885 0.474 . . . . 62.310000000000002 112.033 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.41 -51.33 37.47 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 122.875 0.47 . . . . 74.430000000000007 111.146 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -73.57 -30.75 63.23 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.639 0.776 . . . . 75.010000000000005 112.131 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -69.85 -49.03 56.43 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.601 0.76 . . . . 71.329999999999998 111.049 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.619 ' HB2' ' HZ3' ' A' ' 29' ' ' LYS . 2.8 ttmp? -68.47 -24.04 64.65 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.891 0.876 . . . . 70.239999999999995 111.281 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -44.45 68.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.495 0.718 . . . . 71.230000000000004 111.786 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 64' ' ' LEU . 62.7 mt -83.52 -4.38 58.48 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 123.197 0.599 . . . . 73.219999999999999 111.949 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.13 58.75 0.55 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.19 1.396 . . . . 72.040000000000006 112.456 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.447 HG23 ' H ' ' A' ' 35' ' ' PHE . 36.6 mm -70.04 123.72 89.31 Favored Pre-proline 0 CA--C 1.565 1.533 0 C-N-CA 123.325 0.65 . . . . 73.120000000000005 109.559 170.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.72 -16.41 37.1 Favored 'Trans proline' 0 N--CA 1.506 2.24 0 C-N-CA 123.529 2.819 . . . . 74.129999999999995 114.839 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' H ' HG23 ' A' ' 33' ' ' ILE . 88.9 m-85 -115.43 164.86 15.8 Favored Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.156 0.983 . . . . 72.310000000000002 111.49 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.07 157.36 53.72 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.332 2.021 . . . . 75.120000000000005 111.983 160.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.38 -48.88 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 124.152 0.981 . . . . 73.319999999999993 112.916 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 47.2 tt0 -68.97 -17.16 63.9 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 112.525 0.565 . . . . 73.340000000000003 112.525 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.44 -38.31 87.11 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.903 0.481 . . . . 75.430000000000007 110.059 173.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.01 -42.97 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.893 0.877 . . . . 74.200000000000003 110.044 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 HG23 ' HA2' ' A' ' 72' ' ' GLY . 68.2 mt -60.77 -41.85 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.818 0.847 . . . . 72.409999999999997 112.223 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -40.42 61.09 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 74.010000000000005 110.131 -169.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -73.21 115.56 42.07 Favored Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 123.453 0.701 . . . . 62.32 111.068 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.75 156.29 33.38 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.983 2.455 . . . . 74.340000000000003 112.116 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 78.2 t -56.77 -41.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 64.200000000000003 112.988 -171.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.12 -45.24 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.024 0.53 . . . . 64.420000000000002 111.294 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.05 -39.71 78.98 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.96 0.904 . . . . 71.219999999999999 112.349 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.71 -39.61 61.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 74.400000000000006 111.261 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 7.1 m-20 -69.52 -27.24 65.01 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 73.109999999999999 111.769 176.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.5 -46.02 84.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.373 0.669 . . . . 44.329999999999998 110.332 169.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.1 ttm -64.79 -46.13 83.37 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.562 0.745 . . . . 73.530000000000001 111.132 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.504 ' HE2' ' HG3' ' A' ' 56' ' ' GLN . 1.5 tmt? -63.47 -27.0 68.98 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.571 1.148 . . . . 75.310000000000002 112.652 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -62.8 -24.37 67.71 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.428 0.529 . . . . 74.409999999999997 112.428 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -111.52 -52.94 2.75 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.263 0.625 . . . . 74.230000000000004 110.441 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -91.02 77.5 6.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.641 0.776 . . . . 74.5 110.095 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.504 ' HG3' ' HE2' ' A' ' 52' ' ' MET . 29.6 tt0 -78.99 135.15 36.83 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.803 -0.635 . . . . 74.0 111.014 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -92.2 173.18 7.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.46 0.704 . . . . 75.310000000000002 109.985 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -70.22 155.21 40.96 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.479 0.312 . . . . 74.120000000000005 110.376 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.41 71.09 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.708 1.003 . . . . 73.519999999999996 113.708 -171.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.08 60.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.362 0.665 . . . . 73.430000000000007 111.752 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -62.84 -40.08 96.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.675 . . . . 72.209999999999994 111.329 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.37 -43.56 90.38 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.614 0.766 . . . . 73.219999999999999 111.422 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.7 87.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.684 0.794 . . . . 74.230000000000004 111.458 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 31' ' ' LEU . 36.6 tp -65.25 -44.9 86.66 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.527 -0.76 . . . . 73.400000000000006 112.207 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -57.77 -46.65 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.602 1.161 . . . . 72.109999999999999 112.574 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -64.17 -37.2 86.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.053 -0.522 . . . . 74.349999999999994 110.941 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.1 -43.86 94.08 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.283 0.633 . . . . 71.349999999999994 111.273 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -40.31 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 124.435 1.094 . . . . 73.439999999999998 111.548 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH1' ' HA ' ' A' ' 45' ' ' VAL . 85.8 mtm180 -72.95 -29.36 63.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.267 0.627 . . . . 74.439999999999998 112.393 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.59 -35.62 81.34 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.274 0.63 . . . . 72.519999999999996 111.266 171.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -59.79 3.87 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.267 0.627 . . . . 73.510000000000005 110.558 172.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.471 ' HA2' HG23 ' A' ' 41' ' ' ILE . . . 65.6 -160.86 43.6 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.69 -0.686 . . . . 74.150000000000006 112.895 -173.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -93.15 -71.68 0.64 Allowed 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.267 -0.549 . . . . 75.239999999999995 109.784 171.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -130.13 23.09 5.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.963 0.905 . . . . 74.0 109.702 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.53 161.3 19.35 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.073 0.949 . . . . 72.349999999999994 112.245 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.6 t -95.43 -48.22 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 124.032 0.933 . . . . 70.349999999999994 112.507 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.65 -178.43 0.22 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 125.303 1.441 . . . . 72.409999999999997 112.753 -173.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 65.98 15.79 10.21 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.748 1.219 . . . . 74.439999999999998 113.683 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -76.11 105.8 7.36 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.57 0.748 . . . . 63.32 111.084 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -87.01 129.73 34.76 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.922 0.489 . . . . 74.319999999999993 110.542 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.66 -170.92 2.34 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.694 0.798 . . . . 73.140000000000001 111.53 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -61.41 114.75 3.39 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 121.76 0.79 . . . . 75.239999999999995 112.874 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 11.4 mmpt? -101.23 32.63 3.19 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.292 1.037 . . . . 74.329999999999998 110.705 176.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -67.64 104.12 1.54 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.504 0.722 . . . . 75.150000000000006 112.255 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -127.39 125.0 39.89 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.39 0.676 . . . . 74.140000000000001 110.18 170.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 tt -75.27 -30.92 60.58 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.233 0.613 . . . . 74.5 109.84 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 104.84 0.26 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.984 0.914 . . . . 72.439999999999998 112.689 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -134.84 32.96 3.21 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.553 1.141 . . . . 74.209999999999994 108.982 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.4 tt -134.98 125.44 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.897 0.879 . . . . 63.109999999999999 110.638 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 CA--C 1.567 1.61 0 C-N-CA 123.304 0.642 . . . . 74.420000000000002 111.921 -179.469 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.501 2.102 0 N-CA-C 112.399 0.518 . . . . 74.299999999999997 112.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.89 78.26 1.55 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.022 0.344 . . . . 74.340000000000003 113.639 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -131.68 178.85 6.44 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.877 0.871 . . . . 74.150000000000006 110.39 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -74.72 86.9 2.18 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.472 0.653 . . . . 73.420000000000002 110.762 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -106.82 7.97 30.53 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 124.089 0.955 . . . . 74.239999999999995 110.434 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.05 102.89 11.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.822 0.849 . . . . 73.109999999999999 109.872 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -59.86 138.25 57.85 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.935 0.894 . . . . 73.140000000000001 113.278 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.63 108.15 14.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.089 0.956 . . . . 73.450000000000003 110.333 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -119.69 110.74 17.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 112.566 0.58 . . . . 61.310000000000002 112.566 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -115.09 130.58 56.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.887 0.875 . . . . 73.409999999999997 109.599 169.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt -135.1 93.44 3.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.428 0.691 . . . . 74.430000000000007 110.606 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -162.9 100.57 0.99 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.906 0.883 . . . . 71.019999999999996 110.216 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -149.62 32.55 0.71 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.867 0.867 . . . . 72.019999999999996 109.017 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.4 m -67.1 88.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.006 0.922 . . . . 74.349999999999994 111.553 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 m -83.33 71.61 10.24 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.53 0.732 . . . . 74.109999999999999 111.668 -174.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -97.18 -178.78 4.3 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.612 0.765 . . . . 74.239999999999995 110.488 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -98.13 111.14 23.57 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 108.578 -0.897 . . . . 75.400000000000006 108.578 170.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.41 96.51 0.11 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.614 0.765 . . . . 64.120000000000005 111.67 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.2 109.28 3.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.824 0.849 . . . . 73.030000000000001 110.169 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -140.87 7.86 2.08 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.951 0.901 . . . . 72.439999999999998 110.835 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -51.37 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 115.023 1.49 . . . . 71.239999999999995 115.023 -164.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -71.33 173.04 8.32 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 115.277 -0.874 . . . . 74.030000000000001 110.553 165.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -66.1 -23.78 66.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 122.083 -0.386 . . . . 74.099999999999994 112.036 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.88 -40.51 75.65 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.112 0.565 . . . . 72.200000000000003 111.058 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 34.5 mt-10 -72.0 -33.95 68.5 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.703 0.801 . . . . 71.450000000000003 112.744 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.86 -46.63 88.61 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.998 0.519 . . . . 74.450000000000003 111.846 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -73.73 -29.34 62.19 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.159 0.584 . . . . 75.219999999999999 112.036 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.44 91.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.592 0.357 . . . . 65.120000000000005 111.4 172.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 32.0 mmmt -70.63 -38.05 73.87 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.998 0.519 . . . . 73.519999999999996 111.105 176.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.522 0.729 . . . . 73.540000000000006 112.37 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 64' ' ' LEU . 85.8 mt -96.05 -0.55 50.26 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 113.149 0.796 . . . . 70.340000000000003 113.149 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.55 58.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.964 0.906 . . . . 75.439999999999998 112.459 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -79.4 114.41 44.93 Favored Pre-proline 0 CA--C 1.562 1.428 0 N-CA-C 109.13 -0.692 . . . . 74.310000000000002 109.13 170.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 -19.29 27.36 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.76 2.307 . . . . 53.549999999999997 114.135 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -93.75 159.78 34.0 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.604 0.762 . . . . 75.200000000000003 111.452 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.85 154.34 66.97 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.162 1.908 . . . . 73.530000000000001 111.066 161.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.88 -30.98 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 123.199 0.599 . . . . 75.420000000000002 111.483 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.66 -35.75 77.0 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.23 1.012 . . . . 71.209999999999994 111.777 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -61.39 -50.49 72.64 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.765 0.426 . . . . 74.340000000000003 111.48 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.94 -38.98 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.048 0.539 . . . . 73.540000000000006 110.562 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.31 -53.44 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 123.338 0.655 . . . . 75.430000000000007 111.152 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.94 -5.07 49.95 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.627 0.973 . . . . 73.200000000000003 113.627 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -112.99 95.65 35.18 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 123.206 0.602 . . . . 73.409999999999997 110.422 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 52.9 Cg_exo -57.11 153.72 37.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.445 2.096 . . . . 65.420000000000002 111.392 168.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -47.68 -41.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 C-N-CA 124.079 0.951 . . . . 75.540000000000006 113.472 -170.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.47 -42.24 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 123.313 0.645 . . . . 72.239999999999995 111.557 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.37 -30.22 61.88 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.986 0.914 . . . . 65.099999999999994 111.836 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -72.39 -34.4 67.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.946 0.899 . . . . 71.150000000000006 109.776 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.531 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -62.62 -27.13 69.0 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.811 0.844 . . . . 73.109999999999999 112.563 174.669 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.49 -47.71 81.18 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.177 0.513 . . . . 73.540000000000006 110.554 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.6 tpt -69.45 -44.3 71.55 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.313 0.645 . . . . 74.319999999999993 111.451 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.531 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 23.7 ttt -65.75 -36.84 84.7 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 124.282 1.033 . . . . 73.329999999999998 113.169 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -58.25 -24.62 59.94 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.718 1.006 . . . . 65.439999999999998 113.718 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.09 -41.38 25.68 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 113.139 0.792 . . . . 72.400000000000006 113.139 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -132.16 -36.05 1.17 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 113.04 0.755 . . . . 75.140000000000001 113.04 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.04 172.79 0.23 Allowed 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 125.143 1.377 . . . . 75.010000000000005 113.286 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -127.55 171.29 11.75 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.381 1.072 . . . . 73.420000000000002 109.739 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.412 HD21 ' NE2' ' A' ' 61' ' ' GLN . 37.0 m-80 -70.65 153.53 42.75 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 122.93 0.492 . . . . 74.5 110.954 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.93 -28.15 69.33 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.342 0.868 . . . . 75.109999999999999 113.342 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -71.4 -39.71 70.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.9 0.48 . . . . 63.299999999999997 111.424 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' NE2' HD21 ' A' ' 58' ' ' ASN . 81.4 mt-30 -63.14 -54.49 36.93 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.414 0.686 . . . . 74.439999999999998 110.879 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.99 -38.04 64.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.458 1.103 . . . . 73.430000000000007 112.748 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.94 -56.47 18.82 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 75.430000000000007 111.218 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 31' ' ' LEU . 47.9 tp -60.73 -39.25 87.96 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.472 0.709 . . . . 75.519999999999996 112.9 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.43 -37.56 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.089 0.956 . . . . 74.400000000000006 111.28 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.99 -39.51 83.25 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.737 0.415 . . . . 73.209999999999994 111.854 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.93 -49.32 75.22 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.238 0.615 . . . . 75.450000000000003 111.654 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.46 -37.48 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.599 0.759 . . . . 75.25 111.668 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.662 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -72.06 -35.06 69.19 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.354 0.662 . . . . 74.049999999999997 110.768 178.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -71.37 -32.78 68.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.938 0.895 . . . . 72.230000000000004 111.321 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.9 -59.64 2.62 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.737 0.815 . . . . 75.5 109.611 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.88 87.46 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.987 -0.551 . . . . 62.43 111.931 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.79 12.32 4.94 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.792 1.034 . . . . 75.209999999999994 113.792 -171.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 55.5 47.58 20.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.265 0.626 . . . . 70.030000000000001 109.864 -163.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 87.3 tttt 69.81 142.5 0.05 OUTLIER 'General case' 0 C--N 1.368 1.382 0 C-N-CA 124.936 1.294 . . . . 72.319999999999993 110.951 -169.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.11 -41.03 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.116 0.484 . . . . 75.019999999999996 110.911 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . . . -83.74 80.65 9.06 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 109.131 -0.692 . . . . 74.230000000000004 109.131 164.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.09 109.51 3.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.475 0.71 . . . . 74.420000000000002 111.955 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -99.19 152.51 19.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.283 0.633 . . . . 70.430000000000007 111.358 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.72 -6.73 59.09 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.322 0.649 . . . . 72.400000000000006 111.865 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.62 135.07 50.87 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.744 0.817 . . . . 72.219999999999999 112.493 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -133.62 125.81 29.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.323 1.049 . . . . 75.310000000000002 110.212 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -87.62 122.68 31.62 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.664 0.785 . . . . 73.299999999999997 109.517 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -167.66 130.58 1.64 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.331 0.652 . . . . 63.130000000000003 111.039 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.83 144.03 27.94 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.837 0.455 . . . . 74.530000000000001 110.703 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -103.65 170.59 7.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.557 0.743 . . . . 73.150000000000006 111.299 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -143.76 134.59 25.25 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.526 0.73 . . . . 75.519999999999996 110.382 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -150.24 173.35 14.05 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.195 0.598 . . . . 74.349999999999994 110.103 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.3 mp -62.1 -32.96 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 124.628 1.171 . . . . 73.549999999999997 110.627 176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 CA--C 1.572 1.826 0 C-N-CA 124.249 1.019 . . . . 74.439999999999998 110.25 171.543 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.8 -0.444 . . . . 73.519999999999996 109.8 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.72 -112.61 4.77 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 114.902 0.721 . . . . 64.5 114.902 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 63.36 89.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.163 1.385 . . . . 74.530000000000001 112.734 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -129.74 136.16 49.32 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.324 1.05 . . . . 73.219999999999999 109.986 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -97.89 -72.54 0.64 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.794 0.437 . . . . 75.150000000000006 111.272 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 57.22 92.72 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.712 1.205 . . . . 75.120000000000005 110.887 -169.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -62.18 95.86 0.07 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.488 0.715 . . . . 73.519999999999996 111.079 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -76.81 85.9 3.4 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.386 0.612 . . . . 73.540000000000006 110.097 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -68.88 146.62 52.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.212 -0.904 . . . . 73.140000000000001 111.561 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -151.94 14.93 0.64 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.24 0.616 . . . . 75.230000000000004 112.341 -171.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.5 mpt? -70.98 -16.15 62.62 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.562 0.745 . . . . 75.040000000000006 112.827 -171.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -106.62 138.31 43.02 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.834 0.853 . . . . 71.409999999999997 110.333 175.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -148.96 130.9 15.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.377 0.671 . . . . 71.239999999999995 111.245 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.0 p -116.2 88.39 2.88 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.09 0.956 . . . . 74.310000000000002 108.547 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 m -81.1 71.53 8.09 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.429 -0.805 . . . . 72.140000000000001 113.134 -165.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.61 118.6 0.85 Allowed 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.516 0.726 . . . . 74.540000000000006 111.038 171.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -148.56 104.11 3.46 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 108.341 -0.985 . . . . 75.219999999999999 108.341 167.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 58.09 23.55 10.22 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.165 0.586 . . . . 52.030000000000001 112.47 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.75 86.02 2.76 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.754 0.822 . . . . 71.030000000000001 111.1 -175.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -160.45 68.15 0.36 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.268 0.627 . . . . 73.219999999999999 110.499 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt 52.78 67.05 1.05 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.952 1.301 . . . . 75.230000000000004 113.409 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 ' HG2' ' A' ' 25' ' ' GLU . 15.4 t -81.52 178.25 8.47 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.872 0.469 . . . . 73.510000000000005 111.131 172.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -56.79 -36.1 69.49 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.41 0.624 . . . . 73.049999999999997 111.4 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' HB3' HG23 ' A' ' 37' ' ' VAL . 6.2 m-20 -69.48 -37.51 77.3 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.037 -0.983 . . . . 70.129999999999995 112.307 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HG2' HG21 ' A' ' 22' ' ' THR . 65.7 mm-40 -66.12 -31.73 72.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 122.148 -0.345 . . . . 74.239999999999995 111.439 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.13 -50.54 65.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.575 0.75 . . . . 72.010000000000005 111.623 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.51 -30.39 68.23 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.164 0.586 . . . . 73.230000000000004 111.881 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.21 0.604 . . . . 72.25 111.405 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.66 -41.51 92.44 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.188 0.595 . . . . 65.5 111.069 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.89 94.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.739 0.816 . . . . 72.329999999999998 112.507 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD12 HD22 ' A' ' 64' ' ' LEU . 93.5 mt -90.35 -11.96 39.09 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.086 0.554 . . . . 74.310000000000002 112.172 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m80 69.22 58.89 0.34 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.97 1.308 . . . . 75.319999999999993 113.015 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.553 HG22 HD13 ' A' ' 40' ' ' ILE . 12.9 mm -78.06 126.65 83.38 Favored Pre-proline 0 CA--C 1.567 1.631 0 N-CA-C 109.637 -0.505 . . . . 71.439999999999998 109.637 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -56.06 -20.9 32.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.525 2.817 . . . . 71.400000000000006 115.406 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -128.3 147.24 62.83 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 123.828 0.851 . . . . 74.340000000000003 110.804 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.9 162.37 42.39 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.708 2.272 . . . . 61.140000000000001 112.69 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.536 HG23 ' HB3' ' A' ' 24' ' ' ASP . 88.2 t -61.53 -31.8 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.624 0.77 . . . . 72.299999999999997 112.37 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.59 -47.22 49.57 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.878 0.471 . . . . 74.239999999999995 110.862 168.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -69.11 -36.61 77.71 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 113.261 0.837 . . . . 75.129999999999995 113.261 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 33' ' ' ILE . 3.5 mp -59.14 -34.51 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 CA-C-N 119.022 0.828 . . . . 74.219999999999999 110.998 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -83.72 -46.13 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.369 0 C-N-CA 123.124 0.57 . . . . 74.430000000000007 111.713 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -76.81 -39.17 52.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.544 0.737 . . . . 70.329999999999998 112.647 -166.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.92 110.85 3.33 Favored Pre-proline 0 CA--C 1.56 1.35 0 C-N-CA 123.35 0.66 . . . . 74.120000000000005 110.788 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.42 157.84 48.4 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.912 2.408 . . . . 64.430000000000007 113.169 -175.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.14 -49.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.827 1.251 . . . . 74.329999999999998 114.124 -169.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.62 -58.65 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.496 0.318 . . . . 74.349999999999994 111.603 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.87 -35.7 71.33 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.907 0.883 . . . . 74.400000000000006 112.847 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.31 -56.23 5.12 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.646 1.178 . . . . 75.329999999999998 111.556 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.56 -29.49 65.95 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.848 0.685 . . . . 75.310000000000002 112.848 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -25.82 60.73 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.067 0.547 . . . . 74.5 112.086 173.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -74.29 -42.79 58.95 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.6 0.714 . . . . 73.010000000000005 110.489 172.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' HD11 ' A' ' 65' ' ' ILE . 50.7 mtm -78.19 -8.7 58.63 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 113.861 1.06 . . . . 64.530000000000001 113.861 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -53.29 -42.08 66.25 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 114.783 1.401 . . . . 74.040000000000006 114.783 -167.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.12 -32.31 70.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.169 0.587 . . . . 73.329999999999998 112.012 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.94 82.67 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.345 1.458 . . . . 73.239999999999995 112.916 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.64 9.18 30.74 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.445 0.698 . . . . 64.209999999999994 110.877 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.61 166.46 15.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.39 1.076 . . . . 74.239999999999995 111.183 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.406 HD21 ' NE2' ' A' ' 61' ' ' GLN . 34.3 m-80 -95.13 169.38 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.257 0.623 . . . . 61.32 111.195 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -39.32 66.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.935 0.894 . . . . 74.510000000000005 113.185 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.33 -34.39 61.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.524 0.73 . . . . 73.420000000000002 111.711 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 58' ' ' ASN . 81.4 mt-30 -65.54 -47.44 75.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.437 0.695 . . . . 74.019999999999996 111.482 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.1 -48.79 80.32 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.201 0.6 . . . . 73.519999999999996 110.89 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.14 71.22 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.537 0.735 . . . . 70.0 112.453 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 31' ' ' LEU . 28.9 tp -66.93 -42.05 86.01 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.91 0.484 . . . . 71.340000000000003 111.985 177.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.535 HD11 ' SD ' ' A' ' 52' ' ' MET . 88.0 mt -54.28 -48.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.844 0.858 . . . . 72.019999999999996 111.806 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.8 -36.01 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.27 0.628 . . . . 74.219999999999999 111.102 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.23 -43.99 95.58 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.411 1.084 . . . . 75.129999999999995 111.494 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 HD13 HG11 ' A' ' 37' ' ' VAL . 70.9 mt -68.51 -44.91 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.87 0.868 . . . . 74.340000000000003 111.16 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -56.16 -27.08 52.97 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.493 1.117 . . . . 73.549999999999997 113.908 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -57.43 -43.87 84.19 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 122.543 0.337 . . . . 75.510000000000005 111.587 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -22.59 21.96 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.134 0.574 . . . . 73.310000000000002 111.232 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.83 51.55 4.31 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 114.218 0.447 . . . . 74.319999999999993 114.218 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -113.97 -21.34 10.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.991 1.316 . . . . 73.310000000000002 110.705 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.56 134.14 42.19 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.222 1.009 . . . . 74.319999999999993 112.12 -175.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -79.66 155.92 27.83 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.503 0.721 . . . . 73.310000000000002 112.042 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.21 -63.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.023 0.529 . . . . 73.329999999999998 110.809 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 57.05 80.1 0.17 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.575 1.15 . . . . 71.120000000000005 111.669 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.37 94.39 2.05 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.443 0.697 . . . . 74.519999999999996 112.37 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -146.66 149.56 33.71 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.703 1.201 . . . . 73.439999999999998 108.73 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.13 108.01 1.43 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.212 0.605 . . . . 61.409999999999997 111.867 -174.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 86.1 m -88.34 143.77 26.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.703 0.801 . . . . 71.540000000000006 111.642 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -87.67 -176.23 5.46 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.623 0.769 . . . . 74.030000000000001 111.772 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HB2' ' HZ3' ' A' ' 83' ' ' LYS . 10.2 mtmp? -69.21 86.67 0.4 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.544 0.738 . . . . 73.239999999999995 110.576 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.93 98.36 5.31 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.468 0.707 . . . . 73.510000000000005 111.875 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -81.39 116.57 21.28 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 108.99 -0.744 . . . . 74.530000000000001 108.99 162.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.02 79.04 2.2 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 109.222 -0.659 . . . . 74.439999999999998 109.222 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 59.42 -175.84 0.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.913 1.285 . . . . 75.230000000000004 111.897 -170.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -139.85 162.43 35.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.533 0.733 . . . . 74.519999999999996 111.076 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 mp 67.62 123.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 124.837 1.255 . . . . 73.049999999999997 112.032 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 CA--C 1.567 1.604 0 C-N-CA 123.665 0.786 . . . . 74.129999999999995 111.118 176.224 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 mtt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 110.52 -0.178 . . . . 75.409999999999997 110.52 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.79 93.78 0.11 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 113.849 0.3 . . . . 62.25 113.849 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -109.33 140.15 43.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.426 0.69 . . . . 74.439999999999998 110.565 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -141.12 160.07 40.87 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.712 0.805 . . . . 74.299999999999997 111.229 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -151.18 141.66 22.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.778 0.831 . . . . 75.340000000000003 110.225 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.86 133.39 45.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.541 0.736 . . . . 74.120000000000005 109.699 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -136.76 175.71 9.36 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.441 0.639 . . . . 73.549999999999997 112.168 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -151.72 130.09 12.08 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.642 1.177 . . . . 61.43 109.471 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -127.83 -60.64 1.15 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.996 0.518 . . . . 74.530000000000001 112.338 -169.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -71.14 88.74 0.82 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.335 0.654 . . . . 65.530000000000001 111.893 -174.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.2 mmt -95.01 78.17 3.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.61 0.764 . . . . 73.510000000000005 110.081 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -129.69 174.11 10.0 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.163 0.985 . . . . 74.209999999999994 111.331 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -90.9 -47.68 7.46 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 109.032 -0.729 . . . . 73.530000000000001 109.032 165.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 t -166.35 142.12 4.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.079 0.951 . . . . 74.519999999999996 111.054 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.1 m -153.05 104.37 2.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.879 0.872 . . . . 72.219999999999999 110.875 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.27 89.24 7.79 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.932 0.493 . . . . 72.129999999999995 111.263 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -147.98 163.86 35.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.688 0.795 . . . . 71.239999999999995 110.116 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.92 108.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.108 0.963 . . . . 72.239999999999995 111.655 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.11 -54.64 7.37 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.24 0.616 . . . . 73.030000000000001 112.19 -176.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -170.01 10.52 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 123.063 0.545 . . . . 75.230000000000004 111.643 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt 58.6 58.82 3.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.433 1.111 . . . . 74.329999999999998 110.724 -165.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.8 p -80.75 179.02 8.0 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 113.756 -1.565 . . . . 72.340000000000003 109.759 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -51.37 -42.7 61.52 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.529 0.937 . . . . 75.439999999999998 113.529 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.26 -44.94 88.59 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.437 0.637 . . . . 71.510000000000005 111.58 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.24 -29.24 62.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.424 1.09 . . . . 75.450000000000003 112.249 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 22' ' ' THR . 84.6 mt -71.39 -34.94 70.84 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.516 0.727 . . . . 75.519999999999996 110.81 177.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -71.57 -40.6 69.84 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.785 0.834 . . . . 73.540000000000006 110.6 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.14 98.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.451 0.7 . . . . 72.409999999999997 111.068 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.59 -33.3 73.81 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.047 0.539 . . . . 74.230000000000004 111.167 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.99 97.83 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.704 0.801 . . . . 74.549999999999997 112.448 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -103.49 11.03 36.88 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.199 0.6 . . . . 74.530000000000001 112.482 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 57.57 55.73 5.43 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.707 1.203 . . . . 74.319999999999993 112.882 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.69 120.59 80.62 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.094 0.558 . . . . 72.150000000000006 109.697 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.94 -23.6 29.79 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.541 2.16 . . . . 72.439999999999998 113.141 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.0 152.32 55.99 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 123.37 0.668 . . . . 72.439999999999998 110.761 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.41 165.33 32.99 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 121.704 1.603 . . . . 75.319999999999993 111.373 163.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 68' ' ' ILE . 59.1 t -60.94 -37.46 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.267 0.627 . . . . 73.230000000000004 110.709 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.23 -48.78 80.33 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 124.583 1.153 . . . . 72.049999999999997 111.202 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HE3' HD11 ' A' ' 43' ' ' LEU . 60.3 tptt -54.99 -54.99 35.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.225 1.01 . . . . 75.349999999999994 112.671 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.414 HD11 HG12 ' A' ' 65' ' ' ILE . 92.3 mt -59.35 -36.99 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.792 0.837 . . . . 75.010000000000005 112.207 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.61 -46.37 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 122.793 0.437 . . . . 71.439999999999998 111.427 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -76.03 -15.62 60.1 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.786 0.661 . . . . 74.040000000000006 112.786 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD11 ' HE3' ' A' ' 39' ' ' LYS . 75.5 mt -79.54 115.81 56.14 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 122.923 0.489 . . . . 73.230000000000004 111.27 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.8 156.94 63.71 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 122.927 2.418 . . . . 60.32 112.051 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.82 -47.64 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.752 0.821 . . . . 74.349999999999994 113.033 -169.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -46.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 122.804 0.442 . . . . 73.310000000000002 111.763 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 -42.28 98.71 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.921 0.888 . . . . 73.209999999999994 111.707 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.74 -36.02 65.12 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.184 -0.916 . . . . 73.040000000000006 112.119 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -67.0 -39.52 87.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.13 0.572 . . . . 71.329999999999998 110.649 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HG2' ' HE3' ' A' ' 54' ' ' LYS . 33.4 tt0 -64.64 -39.49 93.8 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.024 -0.534 . . . . 71.430000000000007 110.322 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.66 -45.61 89.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.793 0.837 . . . . 53.409999999999997 112.134 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -75.18 -16.96 60.47 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 112.253 0.464 . . . . 73.420000000000002 112.253 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.6 m -82.21 -16.45 49.61 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.75 0.42 . . . . 73.340000000000003 111.825 173.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HE3' ' HG2' ' A' ' 50' ' ' GLU . 94.9 mttt -92.05 -48.38 6.77 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.575 0.75 . . . . 74.150000000000006 110.18 172.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -128.4 97.17 4.64 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.476 1.11 . . . . 74.519999999999996 109.252 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.8 156.07 19.17 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.564 0.579 . . . . 73.540000000000006 112.564 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -126.17 177.05 6.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.665 0.786 . . . . 75.129999999999995 110.578 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.473 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 24.9 t-20 -69.76 155.45 40.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.308 0.643 . . . . 74.200000000000003 111.614 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.92 -38.95 83.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.907 0.883 . . . . 65.420000000000002 112.704 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.23 80.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.377 0.671 . . . . 74.519999999999996 111.617 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 45.3 mt-30 -64.58 -49.98 69.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.96 0.504 . . . . 75.129999999999995 110.797 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 88.6 mt -61.79 -32.95 73.27 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.914 0.885 . . . . 75.239999999999995 111.779 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.37 88.29 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.279 0.632 . . . . 73.540000000000006 111.634 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.8 -45.21 94.85 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.164 0.586 . . . . 75.140000000000001 111.594 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.414 HG12 HD11 ' A' ' 40' ' ' ILE . 62.3 mt -54.12 -42.1 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.42 1.088 . . . . 75.519999999999996 112.301 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 61.4 mtt180 -58.04 -42.45 85.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.254 0.622 . . . . 72.219999999999999 111.075 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.46 -39.77 85.35 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.036 0.535 . . . . 62.119999999999997 111.136 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 37' ' ' VAL . 81.0 mt -61.87 -43.12 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.755 0.822 . . . . 75.200000000000003 111.054 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -59.57 -43.42 93.63 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.868 0.867 . . . . 73.230000000000004 111.634 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.85 -22.21 56.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.719 0.808 . . . . 75.209999999999994 112.08 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -66.6 -40.89 89.09 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.104 0.962 . . . . 75.409999999999997 111.154 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.9 87.88 1.57 Allowed Glycine 0 CA--C 1.534 1.238 0 CA-C-N 116.39 -0.368 . . . . 72.239999999999995 112.233 174.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -80.14 19.02 0.77 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.495 1.294 . . . . 71.420000000000002 114.495 -174.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.7 OUTLIER 61.65 38.1 15.54 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.895 0.878 . . . . 74.150000000000006 111.956 172.212 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.77 117.69 6.18 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.727 0.811 . . . . 73.439999999999998 111.64 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t 71.17 -16.23 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.022 0 C-N-CA 125.582 1.553 . . . . 74.439999999999998 112.678 -175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.22 139.19 50.02 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.562 0.745 . . . . 71.150000000000006 111.856 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.85 28.05 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.601 1.16 . . . . 72.129999999999995 111.823 -171.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.04 73.4 0.48 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.978 1.311 . . . . 74.150000000000006 110.65 -173.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -103.69 100.29 10.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.427 -0.806 . . . . 73.209999999999994 110.497 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t 67.28 167.75 0.24 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.135 1.374 . . . . 71.129999999999995 113.405 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -88.23 -171.49 3.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.624 0.769 . . . . 74.239999999999995 111.334 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -133.84 159.49 40.49 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.299 0.571 . . . . 75.120000000000005 111.851 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -85.89 -173.23 4.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.877 0.871 . . . . 74.540000000000006 111.026 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -113.85 153.62 28.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.714 0.806 . . . . 70.0 109.379 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD22 ' H ' ' A' ' 86' ' ' LEU . 1.4 pt? -121.25 80.82 1.7 Allowed 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.405 0.621 . . . . 62.009999999999998 109.718 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.35 108.29 1.29 Allowed 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.69 0.757 . . . . 72.340000000000003 111.499 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -94.32 43.59 1.1 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.159 0.983 . . . . 60.43 111.569 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 tt -64.05 -36.62 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 124.189 0.996 . . . . 74.530000000000001 112.351 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 CA--C 1.575 1.916 0 C-N-CA 125.095 1.358 . . . . 73.420000000000002 112.013 -176.596 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.81 0.338 . . . . 75.450000000000003 110.606 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.45 -172.68 38.14 Favored Glycine 0 C--N 1.353 1.524 0 N-CA-C 114.836 0.695 . . . . 75.310000000000002 114.836 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -147.91 132.34 17.63 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.912 0.885 . . . . 73.420000000000002 110.027 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -107.04 120.37 41.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.636 0.775 . . . . 71.209999999999994 111.244 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -167.78 -24.14 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.383 1.073 . . . . 75.329999999999998 110.646 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.96 134.72 33.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.636 1.174 . . . . 74.120000000000005 111.699 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -100.52 154.14 18.8 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 122.762 0.425 . . . . 71.510000000000005 110.927 172.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -123.26 160.23 27.07 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.455 0.702 . . . . 73.019999999999996 111.24 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.1 p -141.18 -160.62 1.1 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.039 0.936 . . . . 74.0 110.878 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 74.76 128.35 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 125.437 1.495 . . . . 73.540000000000006 112.613 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.451 ' HA ' ' HE2' ' A' ' 11' ' ' MET . 4.8 tpt -148.16 135.49 20.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.012 0.525 . . . . 74.200000000000003 110.68 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -147.56 134.09 19.79 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.702 0.801 . . . . 74.049999999999997 110.666 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -163.32 95.69 0.85 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.883 0.873 . . . . 75.120000000000005 109.891 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.8 t -105.94 106.55 17.11 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.308 0.643 . . . . 75.420000000000002 110.227 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 m -75.95 86.4 2.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.293 0.637 . . . . 71.319999999999993 110.538 176.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.23 20.87 8.6 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.7 0.8 . . . . 75.120000000000005 112.172 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 18' ' ' GLU . 1.1 tm? -111.08 143.8 41.23 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 108.433 -0.951 . . . . 72.439999999999998 108.433 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' N ' HD11 ' A' ' 17' ' ' LEU . 42.8 mt-10 -60.53 95.39 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.75 0.82 . . . . 70.540000000000006 112.741 -174.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.1 136.74 16.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.477 1.111 . . . . 74.420000000000002 110.39 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 56.22 35.71 26.22 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.27 1.028 . . . . 74.239999999999995 112.927 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.45 87.5 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.386 0.612 . . . . 65.200000000000003 111.667 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 p -83.59 176.03 9.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 63.399999999999999 110.8 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.84 -27.18 67.89 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 122.915 0.486 . . . . 72.129999999999995 112.234 175.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.9 m-20 -73.36 -47.67 40.39 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.647 0.779 . . . . 73.299999999999997 110.651 173.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.13 -33.33 73.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.918 0.487 . . . . 51.310000000000002 111.707 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.09 72.93 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.353 0.661 . . . . 73.310000000000002 112.348 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.2 ptp180 -72.4 -33.5 67.21 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.864 0.302 . . . . 72.230000000000004 110.628 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.64 78.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.367 0.667 . . . . 73.230000000000004 110.827 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -59.68 -32.03 70.11 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.531 1.132 . . . . 72.329999999999998 112.127 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.66 92.27 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.555 0.742 . . . . 63.32 112.451 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.97 9.6 42.36 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.959 0.504 . . . . 74.310000000000002 112.28 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.69 49.37 3.0 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.993 0.917 . . . . 63.299999999999997 112.752 168.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.425 HG22 ' H ' ' A' ' 35' ' ' PHE . 38.7 mm -70.58 123.2 88.65 Favored Pre-proline 0 CA--C 1.564 1.482 0 C-N-CA 123.188 0.595 . . . . 75.230000000000004 110.112 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.29 -9.43 10.6 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.511 2.807 . . . . 72.349999999999994 115.373 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' H ' HG22 ' A' ' 33' ' ' ILE . 64.8 m-85 -124.34 155.43 68.49 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.992 0.917 . . . . 73.549999999999997 111.364 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.22 161.85 41.13 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.768 2.312 . . . . 75.310000000000002 113.102 168.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.733 HG12 HG21 ' A' ' 68' ' ' ILE . 33.9 t -64.6 -42.84 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 123.404 0.682 . . . . 71.239999999999995 110.993 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -47.3 -37.24 10.46 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.632 1.173 . . . . 73.129999999999995 112.081 171.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.799 ' HZ2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.64 -55.33 13.71 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.314 0.646 . . . . 74.129999999999995 112.362 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.39 -37.83 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 C-N-CA 123.114 0.566 . . . . 72.219999999999999 111.703 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.82 -39.86 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.126 0.571 . . . . 75.209999999999994 112.287 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -90.97 -4.25 56.62 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.383 0.512 . . . . 65.5 112.383 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.25 112.4 47.64 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.422 0.689 . . . . 73.510000000000005 110.508 168.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.82 154.87 73.07 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.649 2.233 . . . . 74.140000000000001 111.831 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.79 -48.16 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 C-N-CA 123.72 0.808 . . . . 70.439999999999998 113.091 -170.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.65 -39.47 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.333 0 C-N-CA 123.008 0.523 . . . . 65.409999999999997 111.973 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.75 -37.19 59.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.511 0.725 . . . . 73.430000000000007 112.153 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -72.79 -42.39 63.95 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.728 -0.214 . . . . 74.340000000000003 110.959 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -65.18 -28.45 69.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.237 0.615 . . . . 72.329999999999998 111.413 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -63.78 -49.21 73.83 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.491 0.716 . . . . 75.439999999999998 109.509 170.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE1' ' HA ' ' A' ' 51' ' ' MET . 3.3 tpt -63.16 -40.53 97.82 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.926 1.29 . . . . 64.200000000000003 111.849 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -75.7 -29.94 59.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.346 1.459 . . . . 75.340000000000003 111.391 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 t -76.52 -33.71 58.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.332 0.653 . . . . 74.540000000000006 111.361 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -68.36 -53.63 22.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.769 0.828 . . . . 75.140000000000001 111.649 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -117.54 93.38 4.14 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.966 0.906 . . . . 73.420000000000002 109.006 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.79 124.74 28.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.995 -1.002 . . . . 72.150000000000006 112.461 -170.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -87.54 170.74 11.06 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.868 0.867 . . . . 73.109999999999999 110.85 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -72.66 154.1 40.89 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.023 0.529 . . . . 62.420000000000002 110.511 172.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.95 -32.15 73.48 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.078 0.77 . . . . 64.549999999999997 113.078 -173.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.9 86.96 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.361 0.664 . . . . 63.119999999999997 111.201 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.59 -43.37 98.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 115.764 -0.653 . . . . 75.239999999999995 110.873 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.33 -46.28 90.45 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.613 0.765 . . . . 62.530000000000001 111.865 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.36 73.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.767 0.827 . . . . 73.510000000000005 112.101 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 tp -69.14 -47.87 63.88 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.876 -0.602 . . . . 74.310000000000002 112.205 175.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.86 -32.82 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.499 0.719 . . . . 74.230000000000004 111.469 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.69 -46.5 88.87 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.323 0.649 . . . . 74.430000000000007 110.931 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.29 -43.93 92.53 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.317 0.647 . . . . 54.299999999999997 111.712 175.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.733 HG21 HG12 ' A' ' 37' ' ' VAL . 84.6 mt -58.79 -46.91 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 124.265 1.026 . . . . 73.299999999999997 111.877 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -39.7 68.23 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.501 0.721 . . . . 74.340000000000003 110.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -64.86 -30.07 71.05 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.748 0.819 . . . . 72.040000000000006 112.603 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -84.4 -24.89 29.43 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.921 0.489 . . . . 75.329999999999998 111.549 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.81 70.22 2.31 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 121.182 0.323 . . . . 74.519999999999996 112.367 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -91.04 12.15 20.72 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.117 0.967 . . . . 74.430000000000007 113.08 -173.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -68.85 131.93 45.93 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.015 0.526 . . . . 70.329999999999998 110.507 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -74.53 76.71 1.96 Allowed 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 122.106 0.955 . . . . 75.530000000000001 111.616 -176.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.94 -30.77 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.705 0.802 . . . . 74.099999999999994 111.784 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.75 110.59 21.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.6 0.76 . . . . 72.540000000000006 110.74 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.02 141.18 48.35 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.721 0.808 . . . . 62.520000000000003 111.256 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -64.61 -21.39 66.7 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.009 0.923 . . . . 74.129999999999995 112.789 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -64.1 124.26 21.17 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.706 0.802 . . . . 74.219999999999999 111.279 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.423 ' SG ' ' NZ ' ' A' ' 83' ' ' LYS . 24.6 p -77.16 116.43 17.79 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.462 0.305 . . . . 65.510000000000005 110.296 176.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.76 116.03 2.49 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.358 0.663 . . . . 75.209999999999994 112.107 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 46.7 mmtm -80.43 165.93 21.74 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.015 0.526 . . . . 75.230000000000004 111.663 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.05 29.76 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.66 0.384 . . . . 72.430000000000007 111.21 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.3 95.85 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.955 -0.387 . . . . 75.439999999999998 109.955 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.57 89.28 0.36 Allowed 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 121.533 0.682 . . . . 71.230000000000004 110.329 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.87 132.82 54.29 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 114.331 -1.304 . . . . 73.439999999999998 112.336 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -102.67 140.19 37.27 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.576 0.751 . . . . 64.099999999999994 111.777 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.5 pt -82.5 175.16 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 123.595 0.758 . . . . 72.209999999999994 111.604 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 CA--C 1.567 1.622 0 C-N-CA 123.22 0.608 . . . . 73.099999999999994 110.397 175.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 112.156 0.428 . . . . 72.420000000000002 112.156 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.92 164.23 48.2 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 113.757 0.263 . . . . 75.040000000000006 113.757 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -70.81 135.79 48.35 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.145 0.578 . . . . 75.439999999999998 111.931 -176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -145.37 131.68 19.58 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.782 0.833 . . . . 65.5 111.505 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.15 79.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 121.899 0.857 . . . . 75.109999999999999 111.996 172.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -141.18 115.86 9.63 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.702 0.801 . . . . 75.099999999999994 110.555 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -136.43 25.82 3.17 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.838 0.855 . . . . 72.019999999999996 110.155 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -76.37 176.93 7.73 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.693 0.797 . . . . 70.420000000000002 112.504 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -81.62 135.73 35.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.247 0.619 . . . . 52.310000000000002 111.873 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -90.18 83.32 6.01 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.043 0.925 . . . . 74.540000000000006 110.386 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.3 mtp -113.13 128.36 56.46 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.486 0.714 . . . . 71.230000000000004 112.041 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -92.3 122.79 35.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.823 0.849 . . . . 72.230000000000004 109.356 170.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -83.74 -55.89 4.01 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.747 0.419 . . . . 70.030000000000001 111.915 -174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.6 p -152.95 152.81 31.87 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 71.049999999999997 112.063 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 m -119.86 73.21 0.96 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.749 1.219 . . . . 72.030000000000001 108.54 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.96 85.12 0.98 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.904 0.859 . . . . 73.120000000000005 112.074 -175.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.99 103.19 4.39 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.422 -0.808 . . . . 73.409999999999997 109.338 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.74 137.32 47.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.549 0.74 . . . . 74.450000000000003 111.007 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.45 55.58 2.25 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.454 1.101 . . . . 72.310000000000002 111.995 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -73.63 -2.89 24.92 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.535 0.939 . . . . 71.239999999999995 113.535 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.76 91.88 1.17 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.792 1.034 . . . . 75.019999999999996 113.792 -168.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -80.2 177.52 8.9 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.725 -0.67 . . . . 73.019999999999996 109.537 163.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.51 70.94 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.951 -0.468 . . . . 75.5 110.841 176.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.94 -38.95 87.1 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.261 0.625 . . . . 61.520000000000003 111.909 173.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.03 -42.86 96.95 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.201 0.601 . . . . 74.120000000000005 111.752 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -51.25 68.08 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.163 0.585 . . . . 74.230000000000004 111.696 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -68.86 -30.39 68.9 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.139 0.575 . . . . 73.299999999999997 111.695 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -52.37 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.953 0.501 . . . . 63.43 111.541 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -68.58 -31.76 71.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.200000000000003 111.777 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.98 73.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.664 0.786 . . . . 71.209999999999994 111.924 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 64' ' ' LEU . 86.6 mt -97.11 -13.85 21.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.425 0.69 . . . . 73.439999999999998 112.087 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 m80 67.24 58.69 0.54 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.481 1.112 . . . . 74.409999999999997 112.188 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -68.66 121.2 80.19 Favored Pre-proline 0 CA--C 1.559 1.291 0 N-CA-C 108.54 -0.911 . . . . 73.239999999999995 108.54 166.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.01 -27.08 74.01 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.379 2.053 . . . . 71.400000000000006 113.515 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' HZ ' ' HG2' ' A' ' 51' ' ' MET . 30.6 m-85 -98.0 151.57 37.62 Favored Pre-proline 0 N--CA 1.487 1.392 0 C-N-CA 123.375 0.67 . . . . 72.049999999999997 111.106 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.62 153.66 47.66 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.214 1.943 . . . . 72.439999999999998 112.244 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.17 -29.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 123.651 0.781 . . . . 70.420000000000002 111.584 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.34 -51.69 32.88 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.32 1.048 . . . . 72.549999999999997 112.452 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.57 -33.2 75.37 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.713 1.005 . . . . 75.219999999999999 113.713 -173.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.29 -29.82 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.596 0 CA-C-O 121.459 0.647 . . . . 71.019999999999996 109.788 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.37 -36.74 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.627 0 C-N-CA 124.318 1.047 . . . . 73.409999999999997 112.537 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -99.59 -33.83 10.47 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.695 0.998 . . . . 74.329999999999998 113.695 -168.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.98 127.73 87.67 Favored Pre-proline 0 N--CA 1.487 1.404 0 CA-C-N 117.94 0.336 . . . . 73.540000000000006 110.87 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.56 142.83 96.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.407 2.072 . . . . 64.140000000000001 112.523 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.08 -31.53 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 124.872 1.269 . . . . 74.549999999999997 113.591 -171.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.85 -49.58 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-O 120.885 0.374 . . . . 73.400000000000006 111.331 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.46 -38.09 88.8 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.892 0.877 . . . . 74.340000000000003 112.0 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HE1' HD12 ' A' ' 65' ' ' ILE . 15.6 t80 -73.3 -44.19 59.55 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.045 -0.525 . . . . 73.219999999999999 111.386 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.83 -27.47 68.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.147 0.579 . . . . 75.329999999999998 111.814 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.13 -46.33 90.99 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.323 0.649 . . . . 73.519999999999996 111.706 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.422 ' HG2' ' HZ ' ' A' ' 35' ' ' PHE . 15.4 tpt -56.14 -44.96 79.72 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.372 0.669 . . . . 73.510000000000005 111.367 174.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 ttt -64.9 -37.71 88.55 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.366 -0.834 . . . . 73.450000000000003 111.787 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -22.56 65.68 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.134 0.574 . . . . 70.010000000000005 111.705 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -81.71 -52.08 7.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.597 0.759 . . . . 74.420000000000002 110.154 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.43 102.58 4.51 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.838 0.855 . . . . 72.519999999999996 110.88 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.01 129.35 37.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.542 0.737 . . . . 73.430000000000007 111.253 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.28 -175.67 3.79 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.705 0.802 . . . . 70.099999999999994 111.258 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -69.99 157.6 37.19 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.648 0.379 . . . . 75.150000000000006 111.147 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.83 -37.91 71.9 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 113.1 0.778 . . . . 73.340000000000003 113.1 -174.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.69 64.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.39 0.676 . . . . 73.049999999999997 111.844 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.19 -49.97 73.69 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.456 0.702 . . . . 72.150000000000006 111.3 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.86 -47.08 83.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.963 0.905 . . . . 74.409999999999997 111.951 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.96 75.76 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.4 0.68 . . . . 73.239999999999995 111.945 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 31' ' ' LEU . 43.1 tp -58.77 -42.23 88.46 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.972 0.73 . . . . 70.540000000000006 112.972 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.428 HD12 ' HE1' ' A' ' 48' ' ' PHE . 89.0 mt -52.8 -44.44 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.743 0.817 . . . . 75.319999999999993 111.725 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -67.1 -30.08 70.01 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.232 0.613 . . . . 75.519999999999996 112.093 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.3 -49.56 18.79 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.85 0.46 . . . . 75.400000000000006 111.742 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.02 -35.72 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 75.219999999999999 112.433 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -70.84 -26.75 63.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.877 -0.514 . . . . 74.219999999999999 111.534 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -66.89 -27.38 67.46 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.462 0.305 . . . . 75.019999999999996 111.659 168.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.8 mmt-85 -78.69 -28.52 45.23 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.075 0.464 . . . . 75.329999999999998 110.178 170.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.92 35.46 4.24 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.794 -0.639 . . . . 63.130000000000003 114.395 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -76.55 76.29 3.25 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.231 0.613 . . . . 75.549999999999997 110.374 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.69 158.9 15.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.893 0.877 . . . . 63.420000000000002 111.645 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -90.27 168.14 12.14 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.388 0.675 . . . . 75.430000000000007 111.722 173.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.24 -9.72 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.757 0.823 . . . . 75.120000000000005 112.744 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.62 -0.54 47.52 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.708 0.803 . . . . 54.149999999999999 112.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.53 93.65 0.52 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.094 0.558 . . . . 73.340000000000003 111.021 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -98.75 -28.12 13.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.474 0.709 . . . . 60.039999999999999 112.123 -172.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -73.4 86.25 1.51 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 121.363 0.601 . . . . 75.0 110.877 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.2 t -95.5 134.95 37.76 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.555 0.742 . . . . 73.109999999999999 110.385 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -95.64 112.16 23.94 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.457 0.539 . . . . 75.219999999999999 112.457 -169.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.6 117.76 7.25 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 108.972 -0.751 . . . . 73.200000000000003 108.972 166.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -136.15 162.83 31.85 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.506 0.723 . . . . 72.219999999999999 111.332 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -86.08 75.07 9.98 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 107.734 -1.21 . . . . 74.200000000000003 107.734 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 86' ' ' LEU . 2.6 pt? -84.78 23.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.194 0.998 . . . . 71.430000000000007 113.081 -167.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.02 99.46 0.09 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 123.47 0.708 . . . . 63.039999999999999 111.316 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -79.23 72.47 5.8 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 124.756 1.222 . . . . 73.120000000000005 112.589 -176.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.4 mm 57.12 77.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 124.464 1.106 . . . . 71.340000000000003 111.313 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 CA--C 1.565 1.544 0 C-N-CA 123.577 0.751 . . . . 75.140000000000001 111.364 -177.334 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.5 mtp . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.812 -0.137 . . . . 73.040000000000006 110.776 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.81 100.14 0.17 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 123.039 0.212 . . . . 64.329999999999998 113.365 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -105.21 82.99 1.91 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.517 0.727 . . . . 71.319999999999993 109.779 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -88.7 104.9 17.31 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.403 0.681 . . . . 73.409999999999997 110.895 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.8 116.16 29.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.605 0.762 . . . . 65.310000000000002 109.83 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -72.58 98.69 2.37 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.381 0.672 . . . . 75.010000000000005 111.111 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -79.65 87.36 5.2 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.451 0.7 . . . . 61.329999999999998 110.824 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -96.97 9.18 42.74 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.937 0.895 . . . . 73.540000000000006 110.643 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 p -69.09 120.81 15.52 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.958 0.903 . . . . 72.230000000000004 111.824 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -108.61 159.59 16.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.255 1.022 . . . . 72.430000000000007 110.425 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.4 ttm -92.83 121.3 34.06 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.153 0.581 . . . . 73.340000000000003 111.263 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -74.74 131.52 40.9 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.682 0.793 . . . . 75.239999999999995 110.746 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -77.62 89.32 3.92 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 121.104 0.478 . . . . 70.239999999999995 110.161 173.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -99.0 122.11 41.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.259 0.623 . . . . 74.430000000000007 110.002 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 p -147.59 90.33 1.85 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 63.200000000000003 110.453 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -101.16 87.59 3.29 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.256 0.622 . . . . 70.439999999999998 110.692 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.5 tp -90.64 157.65 17.36 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.545 0.688 . . . . 74.109999999999999 111.112 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.88 115.91 6.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.095 0.958 . . . . 71.200000000000003 109.933 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 95.81 1.04 Allowed 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.181 -0.674 . . . . 74.120000000000005 109.181 172.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -73.82 73.69 1.59 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.751 0.82 . . . . 74.299999999999997 111.369 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.5 mt -99.82 91.06 4.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.892 0.877 . . . . 71.230000000000004 110.232 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p -74.12 173.49 10.01 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.383 -0.826 . . . . 74.109999999999999 110.382 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -55.98 -28.63 57.98 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.447 0.699 . . . . 75.310000000000002 112.387 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.38 -44.94 49.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.972 0.909 . . . . 75.510000000000005 110.862 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -63.79 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.376 0.671 . . . . 75.120000000000005 111.459 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.42 -47.48 76.11 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.741 0.817 . . . . 75.310000000000002 112.262 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -70.06 -29.8 66.89 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 122.924 0.489 . . . . 71.120000000000005 111.934 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.86 60.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.944 0.498 . . . . 70.319999999999993 110.923 173.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.03 -27.64 68.94 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 115.694 -0.685 . . . . 73.530000000000001 111.322 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.28 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.661 0.784 . . . . 51.520000000000003 111.446 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD12 HD22 ' A' ' 64' ' ' LEU . 70.9 mt -87.14 12.17 12.21 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.368 0.667 . . . . 74.010000000000005 112.141 173.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 63.42 33.99 13.28 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.341 1.056 . . . . 71.510000000000005 112.385 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.7 mm -72.97 113.97 26.49 Favored Pre-proline 0 CA--C 1.561 1.386 0 N-CA-C 109.384 -0.598 . . . . 72.310000000000002 109.384 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.54 7.32 2.32 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.877 2.385 . . . . 73.409999999999997 114.637 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.63 145.74 50.22 Favored Pre-proline 0 N--CA 1.486 1.36 0 C-N-CA 124.303 1.041 . . . . 75.340000000000003 110.701 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.87 153.91 74.31 Favored 'Trans proline' 0 C--N 1.387 2.595 0 C-N-CA 122.993 2.462 . . . . 63.420000000000002 113.106 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.447 ' HA ' HD11 ' A' ' 40' ' ' ILE . 55.2 t -51.75 -37.9 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 124.57 1.148 . . . . 74.129999999999995 112.578 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 41' ' ' ILE . 45.5 tt0 -52.01 -43.06 63.48 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.442 0.697 . . . . 73.030000000000001 112.206 175.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' A' ' 43' ' ' LEU . 88.9 tttt -67.4 -41.43 84.96 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.654 0.382 . . . . 74.450000000000003 111.751 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 37' ' ' VAL . 4.7 mp -58.46 -45.44 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 122.321 0.248 . . . . 75.040000000000006 110.398 174.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 38' ' ' GLU . 93.4 mt -52.22 -41.28 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.898 0.879 . . . . 70.219999999999999 111.548 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.26 -41.3 49.38 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.874 0.87 . . . . 73.409999999999997 112.577 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD13 ' HE2' ' A' ' 39' ' ' LYS . 96.6 mt -69.63 116.09 39.67 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 123.364 0.666 . . . . 74.319999999999993 112.145 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.27 167.15 27.06 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.786 2.324 . . . . 73.219999999999999 111.626 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.45 -43.04 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 112.864 0.69 . . . . 71.129999999999995 112.864 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.18 -51.23 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 122.674 0.389 . . . . 63.119999999999997 111.498 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.79 -36.11 78.18 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.431 0.692 . . . . 62.399999999999999 111.873 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' HZ ' HD12 ' A' ' 65' ' ' ILE . 25.9 t80 -72.86 -33.71 66.27 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.816 -0.629 . . . . 72.510000000000005 111.558 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -66.61 -30.1 70.3 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.089 0.555 . . . . 71.010000000000005 111.35 177.027 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -67.42 -39.74 85.48 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.885 0.474 . . . . 75.129999999999995 111.009 171.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.7 tpt -60.75 -54.57 43.6 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.19 0.596 . . . . 65.319999999999993 111.438 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.434 ' HG3' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -74.22 -15.89 60.98 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.287 0.477 . . . . 64.549999999999997 112.287 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -59.36 -51.67 68.92 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.739 0.78 . . . . 71.439999999999998 110.474 172.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -65.44 -47.92 74.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.002 -1.454 . . . . 75.230000000000004 111.305 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -146.41 115.73 7.07 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.712 0.805 . . . . 75.209999999999994 110.7 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -81.88 144.46 30.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.32 1.048 . . . . 75.219999999999999 112.244 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.99 163.44 12.44 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.868 0.867 . . . . 75.109999999999999 110.009 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -70.09 153.52 43.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.865 0.466 . . . . 71.420000000000002 111.158 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.39 -34.15 74.86 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.924 0.713 . . . . 71.219999999999999 112.924 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.04 81.06 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.526 0.731 . . . . 55.32 111.724 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.89 -50.53 62.16 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.627 0.771 . . . . 74.150000000000006 110.474 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.28 -34.04 73.18 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.018 0.927 . . . . 72.400000000000006 112.085 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.58 78.9 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.834 0.854 . . . . 62.219999999999999 111.688 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.598 HD22 HD12 ' A' ' 31' ' ' LEU . 60.8 tp -62.33 -46.21 89.72 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.505 0.722 . . . . 74.239999999999995 111.607 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.414 HD12 ' HZ ' ' A' ' 48' ' ' PHE . 98.0 mt -59.01 -43.0 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.716 0.806 . . . . 74.400000000000006 112.166 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -62.97 -46.26 88.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 75.019999999999996 110.741 175.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.7 -47.95 80.93 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.231 1.012 . . . . 74.150000000000006 111.937 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD12 HG11 ' A' ' 37' ' ' VAL . 87.1 mt -61.95 -45.16 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.307 1.043 . . . . 74.299999999999997 111.569 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.06 -26.71 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.37 0.668 . . . . 74.420000000000002 112.334 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 74' ' ' ASN . 99.7 mtt180 -71.47 -18.82 62.28 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.018 0.747 . . . . 75.209999999999994 113.018 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -84.02 -41.45 17.23 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.754 0.422 . . . . 74.349999999999994 111.16 171.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 41' ' ' ILE . . . -78.0 -54.19 4.58 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 114.043 0.377 . . . . 55.109999999999999 114.043 -178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -95.31 35.57 1.3 Allowed 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.959 1.304 . . . . 74.530000000000001 112.853 -173.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 70' ' ' ARG . 26.0 p30 -92.89 22.76 4.63 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.169 0.803 . . . . 72.519999999999996 113.169 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -81.57 16.26 1.8 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.862 0.69 . . . . 75.430000000000007 112.862 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.53 -67.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.466 0.707 . . . . 74.120000000000005 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.48 156.17 6.56 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.586 0.754 . . . . 72.230000000000004 111.053 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.23 133.38 51.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.859 0.863 . . . . 74.420000000000002 110.589 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -108.31 106.53 16.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.204 0.602 . . . . 75.030000000000001 110.463 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.12 -48.17 8.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.433 0.693 . . . . 72.049999999999997 110.676 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.49 131.41 35.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.094 0.557 . . . . 60.25 111.149 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -68.94 131.87 45.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.954 0.902 . . . . 74.450000000000003 112.278 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.64 127.25 40.2 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.916 0.886 . . . . 74.5 110.426 173.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -66.74 91.88 0.2 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.601 0.76 . . . . 75.319999999999993 110.943 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.64 97.43 10.55 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.251 0.548 . . . . 73.030000000000001 111.203 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.9 mt -79.14 94.25 5.33 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.818 0.847 . . . . 71.420000000000002 109.91 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -83.81 88.32 7.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.25 0.62 . . . . 73.019999999999996 110.68 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -101.23 -35.83 9.14 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.202 0.601 . . . . 75.439999999999998 111.166 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 mp 60.69 87.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 124.662 1.185 . . . . 75.340000000000003 109.61 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.568 1.639 0 C-N-CA 123.757 0.823 . . . . 74.340000000000003 112.034 -174.154 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 120.401 0.143 . . . . 73.209999999999994 111.293 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.97 134.07 8.18 Favored Glycine 0 N--CA 1.479 1.567 0 CA-C-N 116.743 -0.208 . . . . 73.400000000000006 113.165 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -71.83 -29.03 63.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.459 0.704 . . . . 71.209999999999994 111.185 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 t60 63.46 23.65 13.77 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 125.301 1.44 . . . . 73.430000000000007 113.01 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 55.2 147.75 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 127.018 2.127 . . . . 75.319999999999993 116.065 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -138.7 124.91 20.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.207 1.003 . . . . 73.340000000000003 110.228 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -140.76 -59.12 0.51 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.855 0.862 . . . . 71.409999999999997 111.097 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -59.79 131.77 51.92 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.105 0.562 . . . . 72.409999999999997 112.298 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -138.93 -179.33 5.77 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.611 0.764 . . . . 74.129999999999995 111.373 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -110.03 46.02 1.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.544 0.738 . . . . 75.430000000000007 110.814 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.7 ptp -74.52 2.62 9.22 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.764 0.825 . . . . 73.219999999999999 113.009 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HZ2' ' HB3' ' A' ' 12' ' ' LYS . 8.3 mtpm? -69.62 89.33 0.53 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 121.203 0.525 . . . . 71.439999999999998 111.158 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -89.57 11.36 19.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.451 1.101 . . . . 75.010000000000005 111.388 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 p -65.57 107.3 1.67 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.777 1.231 . . . . 75.439999999999998 112.065 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.1 p -125.1 -15.94 6.17 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.1 0.96 . . . . 53.049999999999997 111.035 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -83.72 113.23 20.74 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.521 0.728 . . . . 75.510000000000005 109.781 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.09 -172.02 2.46 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.196 0.998 . . . . 73.340000000000003 112.961 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.599 ' HB3' HD12 ' A' ' 21' ' ' LEU . 5.3 mp0 -71.09 85.67 0.73 Allowed 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 114.257 -1.338 . . . . 75.109999999999999 110.746 172.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.58 157.88 45.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.659 0.784 . . . . 74.409999999999997 111.183 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.6 m80 61.1 28.63 18.32 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.469 1.108 . . . . 74.109999999999999 111.232 -175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 18' ' ' GLU . 54.2 mt -71.54 99.85 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.192 -0.913 . . . . 73.319999999999993 110.521 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -66.2 168.01 9.29 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.279 -0.419 . . . . 72.450000000000003 110.351 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.41 -20.94 21.99 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.083 0.771 . . . . 74.409999999999997 113.083 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.7 m-20 -63.83 -53.97 42.32 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.543 0.737 . . . . 74.010000000000005 111.32 172.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -65.4 -27.07 68.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.891 -0.506 . . . . 74.340000000000003 112.168 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.67 -40.34 66.36 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.399 0.518 . . . . 74.299999999999997 112.399 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 9.0 ptm180 -70.99 -33.23 70.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.465 0.306 . . . . 73.340000000000003 110.3 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -63.92 -48.72 75.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.296 0.639 . . . . 62.030000000000001 111.075 173.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.37 -26.48 68.77 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.605 1.162 . . . . 63.539999999999999 112.415 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.06 94.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.34 0.656 . . . . 70.219999999999999 111.657 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 64' ' ' LEU . 83.4 mt -94.14 10.23 34.64 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.331 0.652 . . . . 75.400000000000006 112.356 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.37 36.57 8.96 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.526 1.13 . . . . 74.129999999999995 113.184 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.95 124.26 81.07 Favored Pre-proline 0 CA--C 1.563 1.453 0 C-N-CA 123.464 0.706 . . . . 74.349999999999994 110.051 172.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.41 -8.65 20.94 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.653 2.235 . . . . 72.439999999999998 113.651 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -112.02 151.08 43.31 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.699 0.799 . . . . 70.049999999999997 111.325 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -64.66 161.16 36.81 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.339 2.026 . . . . 73.140000000000001 111.941 165.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 68' ' ' ILE . 44.5 t -62.42 -40.51 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.681 0.792 . . . . 73.209999999999994 111.544 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.14 -35.7 67.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.252 0.621 . . . . 75.329999999999998 112.264 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HE3' HD13 ' A' ' 43' ' ' LEU . 57.8 tptt -63.26 -45.87 89.49 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.239 0.616 . . . . 74.219999999999999 112.0 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.45 -41.4 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.238 0.615 . . . . 75.299999999999997 110.61 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.29 -43.0 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.621 0.768 . . . . 73.310000000000002 111.803 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -77.15 -21.92 53.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.29 0.636 . . . . 74.540000000000006 112.634 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD13 ' HE3' ' A' ' 39' ' ' LYS . 94.6 mt -88.62 108.39 22.6 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-O 119.064 -0.493 . . . . 75.409999999999997 110.001 172.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.55 159.83 30.53 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.684 2.256 . . . . 74.310000000000002 111.69 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.97 -36.12 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 123.013 0.525 . . . . 74.209999999999994 112.207 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.67 -52.86 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-O 121.42 0.629 . . . . 64.439999999999998 111.696 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.77 -40.73 75.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.965 0.906 . . . . 62.049999999999997 111.795 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -69.09 -34.32 74.92 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.136 -0.484 . . . . 64.420000000000002 111.499 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.47 -36.4 78.19 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.777 0.431 . . . . 72.129999999999995 111.78 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.02 -48.87 72.36 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.515 0.326 . . . . 74.530000000000001 110.888 173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.4 tpt -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.379 0.671 . . . . 74.340000000000003 111.795 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.8 ttp -74.88 -29.53 61.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.42 1.088 . . . . 75.430000000000007 111.605 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -72.54 -46.5 54.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.688 0.395 . . . . 72.319999999999993 111.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -46.15 56.45 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.698 0.399 . . . . 74.430000000000007 111.201 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.4 82.89 2.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.205 -0.665 . . . . 75.329999999999998 109.205 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -69.98 101.63 1.83 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.029 0.532 . . . . 74.219999999999999 110.923 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.94 167.51 20.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.105 0.562 . . . . 74.219999999999999 110.48 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -74.33 151.64 39.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.509 0.324 . . . . 72.109999999999999 111.411 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -39.09 61.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.33 1.052 . . . . 72.519999999999996 113.527 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.46 71.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.516 0.726 . . . . 71.120000000000005 111.82 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -46.78 87.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.495 0.718 . . . . 64.129999999999995 111.252 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -38.09 85.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.909 0.883 . . . . 75.25 112.077 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.53 91.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.558 0.743 . . . . 71.010000000000005 111.977 175.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 28' ' ' ALA . 56.4 tp -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.085 0.554 . . . . 75.409999999999997 111.96 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.11 -39.55 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.594 0.758 . . . . 74.450000000000003 111.613 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.45 -35.6 79.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.608 0.763 . . . . 75.409999999999997 111.664 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.505 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 6.4 t70 -74.91 -37.35 62.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.798 0.332 . . . . 74.319999999999993 111.172 177.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.683 HG21 HG11 ' A' ' 37' ' ' VAL . 45.4 mt -64.45 -34.09 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.167 0 C-N-CA 123.467 0.707 . . . . 74.310000000000002 111.129 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.524 0.73 . . . . 74.140000000000001 112.757 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 2.1 ptm180 -67.8 -35.21 78.24 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 122.574 0.35 . . . . 63.520000000000003 111.619 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.65 -4.57 56.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.983 0.513 . . . . 72.099999999999994 111.147 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.33 -179.93 52.47 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 116.569 -0.287 . . . . 74.430000000000007 113.426 171.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.5 tttt 56.31 58.65 4.12 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.635 1.174 . . . . 73.420000000000002 110.228 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -69.81 -38.6 76.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.84 -1.073 . . . . 73.430000000000007 111.446 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -77.3 131.38 38.11 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 121.145 0.498 . . . . 74.439999999999998 110.817 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.1 -35.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 74.129999999999995 109.327 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 72.02 145.73 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.808 1.643 . . . . 74.430000000000007 112.95 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 68.91 119.34 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 125.13 1.372 . . . . 63.219999999999999 111.707 -171.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -56.99 -37.17 71.26 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.616 0.766 . . . . 75.019999999999996 111.628 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -134.41 120.03 19.31 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.046 -1.094 . . . . 61.130000000000003 108.046 170.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.2 p -72.14 116.21 12.28 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.932 0.493 . . . . 73.219999999999999 111.579 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -99.57 139.46 35.19 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.713 0.805 . . . . 73.310000000000002 110.293 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.67 105.4 0.95 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.421 0.688 . . . . 74.230000000000004 110.997 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -151.66 155.0 37.48 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.532 0.733 . . . . 75.010000000000005 110.088 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -92.17 179.95 5.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.094 0.557 . . . . 73.25 111.485 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -152.76 93.59 1.78 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.723 -0.843 . . . . 73.530000000000001 108.723 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.9 114.59 4.94 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.295 0.638 . . . . 75.430000000000007 111.754 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -128.31 137.86 52.13 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.906 0.882 . . . . 75.319999999999993 110.17 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.4 pp -75.52 177.66 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 123.018 0.527 . . . . 73.439999999999998 112.15 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 CA--C 1.577 2.008 0 CA-C-O 120.962 0.41 . . . . 73.439999999999998 112.001 -179.301 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.883 -0.414 . . . . 74.430000000000007 109.883 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.74 -151.92 52.32 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.547 0.529 . . . . 74.200000000000003 114.204 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 70.35 142.71 0.05 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 125.351 1.46 . . . . 72.239999999999995 113.636 174.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -83.28 100.35 10.57 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.923 -0.581 . . . . 73.349999999999994 109.504 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -78.1 98.14 5.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.689 0.796 . . . . 74.109999999999999 110.633 -174.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -131.68 155.86 46.89 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.833 0.853 . . . . 75.230000000000004 111.767 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -126.68 139.86 52.84 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.018 0.927 . . . . 54.43 110.219 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -113.98 2.61 15.06 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.122 0.569 . . . . 70.409999999999997 112.26 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.7 m -67.9 118.14 10.72 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.595 0.758 . . . . 51.539999999999999 111.719 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -76.06 149.98 37.39 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 113.06 0.763 . . . . 74.319999999999993 113.06 -171.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.93 91.72 1.57 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.597 -0.89 . . . . 74.0 108.597 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -95.86 -11.91 26.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.478 0.711 . . . . 74.409999999999997 112.478 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -80.59 64.53 5.41 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.97 0.89 . . . . 64.099999999999994 111.162 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 m -144.32 114.35 7.36 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.562 0.745 . . . . 74.420000000000002 110.444 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 p -92.04 101.51 14.05 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.253 0.621 . . . . 74.010000000000005 110.421 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -70.07 100.82 1.69 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.279 0.632 . . . . 72.25 109.843 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 tp -138.98 158.26 44.52 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.607 0.763 . . . . 64.319999999999993 110.58 -174.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.56 134.97 46.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.363 1.065 . . . . 75.430000000000007 112.736 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.29 -170.54 2.3 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.996 0.918 . . . . 73.25 110.966 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -92.54 37.99 1.01 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.427 0.691 . . . . 62.520000000000003 110.393 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -55.1 92.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 114.134 1.161 . . . . 75.5 114.134 -165.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -76.22 173.56 11.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.913 -1.04 . . . . 64.219999999999999 110.498 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -56.71 -38.33 72.17 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.41 0.284 . . . . 75.209999999999994 111.008 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.74 -47.72 81.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.703 0.801 . . . . 70.310000000000002 112.102 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -67.98 -37.41 81.47 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.401 0.519 . . . . 65.420000000000002 112.401 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.38 -42.34 98.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.097 0.559 . . . . 74.25 111.576 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -76.76 -37.51 55.78 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.858 0.863 . . . . 72.010000000000005 112.061 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -53.2 19.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.798 0.839 . . . . 64.310000000000002 112.081 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.52 -23.77 63.64 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.115 0.566 . . . . 75.439999999999998 111.218 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.106 0.563 . . . . 74.209999999999994 111.791 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD13 HD21 ' A' ' 64' ' ' LEU . 95.5 mt -84.41 -2.33 56.99 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.367 0.667 . . . . 73.109999999999999 112.489 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.9 t60 64.07 57.66 1.26 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.555 1.142 . . . . 73.519999999999996 111.778 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -82.19 118.79 73.26 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.51 -0.768 . . . . 75.319999999999993 109.262 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.98 -1.1 10.77 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.847 2.365 . . . . 75.329999999999998 113.839 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.47 156.09 42.77 Favored Pre-proline 0 N--CA 1.481 1.125 0 C-N-CA 123.792 0.837 . . . . 74.340000000000003 111.346 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 165.64 28.37 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.287 1.991 . . . . 74.040000000000006 112.354 168.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.36 -36.73 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.316 0.646 . . . . 74.519999999999996 111.362 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.82 -40.67 89.21 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.983 0.913 . . . . 74.340000000000003 112.549 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -47.23 80.58 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.376 0.51 . . . . 75.409999999999997 112.376 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.65 -40.65 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.382 0 C-N-CA 123.112 0.565 . . . . 73.219999999999999 110.762 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.86 -47.01 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.847 0.859 . . . . 74.109999999999999 112.747 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -82.08 -12.22 58.35 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.264 0.838 . . . . 72.040000000000006 113.264 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.79 112.5 32.4 Favored Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 123.028 0.531 . . . . 74.299999999999997 111.39 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.48 167.68 23.39 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.897 2.398 . . . . 73.519999999999996 112.05 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.81 -47.95 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 123.617 0.767 . . . . 64.450000000000003 112.977 -171.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.79 -46.94 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.109 0.48 . . . . 70.140000000000001 111.206 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.14 -41.5 96.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.434 1.094 . . . . 74.109999999999999 112.039 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.489 ' CZ ' HG22 ' A' ' 65' ' ' ILE . 67.7 t80 -73.49 -38.77 65.27 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.64 -0.709 . . . . 73.299999999999997 112.146 -175.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -38.36 86.33 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.116 0.484 . . . . 75.340000000000003 110.603 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.1 -41.69 97.13 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.226 1.01 . . . . 64.430000000000007 111.165 171.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 ttt -74.49 -42.33 59.17 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.067 0.766 . . . . 72.040000000000006 113.067 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -74.49 -21.53 59.52 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.053 0.39 . . . . 74.299999999999997 112.053 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -64.92 -35.56 81.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.224 0.609 . . . . 63.32 111.76 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -98.92 -23.42 15.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.527 0.731 . . . . 74.5 112.057 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -115.93 88.46 2.89 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.816 0.846 . . . . 71.430000000000007 109.348 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -81.07 135.53 35.83 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.734 0.414 . . . . 73.030000000000001 111.58 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -123.93 171.61 9.57 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.103 0.961 . . . . 75.120000000000005 110.158 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.41 159.78 31.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.64 0.376 . . . . 75.030000000000001 111.375 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.28 -32.81 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.79 0.663 . . . . 74.400000000000006 112.79 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.73 68.2 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.203 0.601 . . . . 72.310000000000002 111.335 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -63.03 -48.65 77.81 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.432 0.693 . . . . 74.450000000000003 111.012 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.65 -29.79 68.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.652 0.781 . . . . 74.209999999999994 112.486 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.15 91.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.089 0.555 . . . . 62.539999999999999 111.169 173.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 31' ' ' LEU . 43.3 tp -58.84 -50.46 73.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 115.381 -0.827 . . . . 74.140000000000001 111.673 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 82.3 mt -58.93 -44.2 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.531 0.732 . . . . 74.230000000000004 111.844 -176.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.95 -35.77 77.61 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.753 0.421 . . . . 74.099999999999994 111.672 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.81 -48.2 69.67 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.585 0.754 . . . . 73.209999999999994 111.546 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 122.901 0.48 . . . . 75.010000000000005 111.279 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.52 71.42 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.03 0.932 . . . . 75.0 111.109 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -71.24 -27.85 63.76 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.847 0.459 . . . . 73.109999999999999 111.435 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -82.21 -14.59 55.34 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.435 0.694 . . . . 74.219999999999999 111.643 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.93 159.89 46.1 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.869 -0.406 . . . . 75.439999999999998 112.57 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HB3' ' HZ1' ' A' ' 73' ' ' LYS . 7.2 mtpm? 58.56 30.12 19.36 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 124.151 0.98 . . . . 74.439999999999998 112.276 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -83.58 5.67 23.4 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 113.807 1.04 . . . . 74.549999999999997 113.807 -171.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.7 81.02 2.05 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.998 0.74 . . . . 74.219999999999999 112.998 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.6 t 61.94 -65.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 126.752 2.021 . . . . 71.019999999999996 114.727 167.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.45 114.91 1.05 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.546 1.538 . . . . 74.349999999999994 113.53 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.65 140.06 47.71 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.66 0.784 . . . . 70.120000000000005 111.625 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.38 133.61 34.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.589 0.756 . . . . 73.450000000000003 111.17 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -70.51 132.08 44.99 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.231 0.612 . . . . 72.400000000000006 112.153 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 51.4 t -149.28 161.53 41.85 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.222 1.009 . . . . 72.010000000000005 110.279 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 82' ' ' ARG . 4.2 mpt_? -74.78 141.59 44.36 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.898 0.479 . . . . 75.420000000000002 110.654 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -125.47 159.3 32.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.536 0.734 . . . . 72.299999999999997 111.11 -162.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 143.81 17.29 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.707 1.373 . . . . 74.409999999999997 114.707 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.2 158.34 34.36 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 72.409999999999997 110.27 176.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 mt 55.59 79.11 0.17 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.597 1.159 . . . . 75.319999999999993 112.568 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.06 0.56 10.76 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.437 0.695 . . . . 74.439999999999998 112.326 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 64.45 -84.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.956 1.303 . . . . 75.430000000000007 111.96 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.3 mm 65.02 139.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 125.274 1.43 . . . . 74.239999999999995 114.231 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 CA--C 1.57 1.75 0 C-N-CA 124.7 1.2 . . . . 75.230000000000004 110.449 167.072 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 120.265 0.078 . . . . 74.540000000000006 111.187 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.46 -68.31 2.97 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 116.654 -0.248 . . . . 53.520000000000003 112.976 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -84.32 131.45 34.71 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.497 0.719 . . . . 73.310000000000002 110.072 172.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -61.79 -50.33 72.77 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.777 0.831 . . . . 73.040000000000006 112.723 -171.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.8 t60 68.0 159.32 0.16 Allowed 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 124.878 1.271 . . . . 73.140000000000001 112.779 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 75.81 138.49 0.06 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.473 1.509 . . . . 75.209999999999994 112.506 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -97.8 -179.63 4.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.174 0.99 . . . . 71.319999999999993 112.372 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -97.12 117.92 32.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 121.147 0.499 . . . . 75.420000000000002 110.48 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -108.91 -77.75 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.901 -0.499 . . . . 71.319999999999993 111.063 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 62.37 8.77 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.738 1.215 . . . . 74.420000000000002 113.571 -173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.6 ttt -84.98 90.15 7.76 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.478 0.711 . . . . 72.439999999999998 109.811 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -165.99 179.44 5.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.796 0.839 . . . . 74.519999999999996 110.257 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -99.77 170.48 8.52 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.293 0.637 . . . . 72.340000000000003 110.519 171.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -75.03 84.97 2.29 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.156 0.503 . . . . 74.239999999999995 110.231 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.3 t -161.89 168.59 22.72 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.061 0.945 . . . . 70.310000000000002 111.142 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.19 108.88 20.71 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.792 0.837 . . . . 74.140000000000001 110.712 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.39 140.31 33.76 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.964 0.506 . . . . 75.209999999999994 112.34 177.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 57.93 17.19 4.15 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.997 1.319 . . . . 74.25 113.778 167.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.02 72.06 9.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.385 0.674 . . . . 74.420000000000002 110.985 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 59.03 20.25 8.07 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 124.851 1.26 . . . . 75.129999999999995 112.693 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -82.4 93.01 7.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.531 0.732 . . . . 75.340000000000003 111.63 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -82.7 -179.0 7.29 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.963 0.905 . . . . 74.329999999999998 111.725 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -63.27 -41.72 99.06 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.627 0.371 . . . . 64.450000000000003 110.318 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.33 -44.7 95.89 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.798 0.839 . . . . 64.120000000000005 111.756 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -57.45 -53.31 59.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.535 0.734 . . . . 64.430000000000007 112.143 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.72 -41.87 91.84 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 112.724 0.638 . . . . 75.430000000000007 112.724 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -76.82 -32.64 57.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.821 0.675 . . . . 74.129999999999995 112.821 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.31 65.77 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.847 0.459 . . . . 75.010000000000005 111.717 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.86 -24.28 59.72 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.727 0.411 . . . . 75.510000000000005 110.764 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.55 -29.68 67.32 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.337 0.655 . . . . 72.400000000000006 111.512 167.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 61' ' ' GLN . 92.0 mt -79.86 -3.65 48.81 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.261 0.624 . . . . 74.310000000000002 111.796 169.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 64.07 35.25 10.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.621 1.168 . . . . 75.299999999999997 111.487 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.551 HG23 HD12 ' A' ' 40' ' ' ILE . 48.7 mm -65.02 126.65 91.67 Favored Pre-proline 0 CA--C 1.561 1.377 0 C-N-CA 122.933 0.493 . . . . 75.25 110.232 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.43 -21.14 66.73 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.376 2.718 . . . . 73.140000000000001 114.613 -176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -129.89 151.38 78.11 Favored Pre-proline 0 CA--C 1.565 1.543 0 C-N-CA 123.731 0.813 . . . . 74.239999999999995 112.296 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' O ' HD11 ' A' ' 40' ' ' ILE . 47.9 Cg_exo -58.68 160.86 16.29 Favored 'Trans proline' 0 C--N 1.388 2.625 0 C-N-CA 123.945 3.097 . . . . 75.319999999999993 114.595 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 68' ' ' ILE . 93.8 t -59.75 -44.17 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 123.165 0.586 . . . . 73.439999999999998 112.48 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD11 ' A' ' 41' ' ' ILE . 1.5 mp0 -59.02 -27.51 65.53 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.612 0.365 . . . . 73.219999999999999 111.922 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' A' ' 39' ' ' LYS . 1.1 tpmt? -71.19 -43.91 66.47 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 119.064 -0.493 . . . . 73.430000000000007 110.877 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.551 HD12 HG23 ' A' ' 33' ' ' ILE . 4.4 mp -57.15 -42.13 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 118.166 0.439 . . . . 75.340000000000003 110.319 172.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 38' ' ' GLU . 85.3 mt -58.36 -43.2 85.84 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.391 0 C-N-CA 123.906 0.882 . . . . 73.340000000000003 111.899 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -97.3 4.99 50.65 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 113.738 1.014 . . . . 75.430000000000007 113.738 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 62.2 mt -101.02 109.74 59.17 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 122.991 0.517 . . . . 74.540000000000006 110.807 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -60.46 165.71 10.79 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.684 2.256 . . . . 53.030000000000001 112.167 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 -39.2 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 123.443 0.697 . . . . 71.239999999999995 112.377 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.88 -51.02 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 123.315 0.646 . . . . 53.420000000000002 111.831 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.11 -34.26 75.99 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.031 0.932 . . . . 74.400000000000006 112.023 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.489 ' HZ ' HD11 ' A' ' 65' ' ' ILE . 14.6 t80 -72.6 -34.98 67.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.476 0.711 . . . . 72.209999999999994 110.741 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.572 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -68.91 -25.39 64.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.18 0.992 . . . . 75.319999999999993 112.713 178.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -56.15 -47.75 77.62 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.89 0.476 . . . . 73.040000000000006 110.905 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.7 tpt -73.26 -43.74 60.54 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.118 0.567 . . . . 71.239999999999995 111.242 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.715 ' HG3' ' HA ' ' A' ' 56' ' ' GLN . 47.7 ttm -65.6 -17.04 64.29 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.074 0.95 . . . . 71.219999999999999 112.736 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.9 t -55.47 -29.51 58.87 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.246 1.018 . . . . 64.439999999999998 112.606 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.2 -52.94 5.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.269 0.627 . . . . 72.5 111.176 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -141.11 141.52 34.19 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.997 0.919 . . . . 72.430000000000007 110.439 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.715 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.2 OUTLIER -79.46 6.72 9.57 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.111 0.782 . . . . 72.030000000000001 113.111 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 69.23 166.66 0.27 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.16 1.384 . . . . 75.230000000000004 112.148 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 58.2 t30 -77.87 153.82 32.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.829 -0.623 . . . . 74.040000000000006 110.422 174.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.13 -44.19 95.1 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.913 0.885 . . . . 74.310000000000002 111.688 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.28 73.01 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.05 0.94 . . . . 72.040000000000006 112.555 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HA ' HD13 ' A' ' 31' ' ' LEU . 89.8 mt-30 -70.09 -52.38 24.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.318 0.647 . . . . 74.150000000000006 110.658 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.34 -30.46 69.55 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.405 1.082 . . . . 75.430000000000007 112.614 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -54.27 -46.54 72.7 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.771 0.828 . . . . 74.109999999999999 111.728 174.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 tp -76.39 -49.97 15.41 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.442 -0.799 . . . . 75.349999999999994 111.715 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 HD11 ' HZ ' ' A' ' 48' ' ' PHE . 79.3 mt -52.64 -50.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.606 1.162 . . . . 74.140000000000001 113.454 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' ' 63' ' ' ALA . 77.9 mtm180 -60.14 -43.32 95.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.897 0.479 . . . . 75.219999999999999 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.97 -39.57 92.61 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.406 0.682 . . . . 74.430000000000007 111.746 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.516 HD12 HG11 ' A' ' 37' ' ' VAL . 75.1 mt -66.32 -41.67 89.39 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 123.609 0.763 . . . . 73.230000000000004 111.766 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -68.28 -41.2 81.37 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.913 0.485 . . . . 74.400000000000006 111.75 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -71.98 -24.01 61.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.258 0.623 . . . . 74.099999999999994 111.495 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -76.16 -37.81 57.49 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.531 0.732 . . . . 72.239999999999995 110.547 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.37 61.17 4.75 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.585 -0.734 . . . . 72.329999999999998 113.596 -175.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.55 81.34 7.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.764 0.826 . . . . 72.340000000000003 109.442 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -152.03 171.13 18.32 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.578 0.751 . . . . 74.549999999999997 111.598 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -93.21 131.46 38.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.822 0.849 . . . . 74.519999999999996 109.381 170.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.1 m -62.59 -24.02 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 112.921 0.712 . . . . 75.310000000000002 112.921 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.9 132.17 35.17 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.625 0.77 . . . . 75.409999999999997 111.385 175.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.41 -167.27 1.77 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.13 0.972 . . . . 54.130000000000003 110.113 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.69 120.25 13.75 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 110.035 -0.357 . . . . 64.120000000000005 110.035 172.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -66.41 100.78 0.68 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.466 0.65 . . . . 72.540000000000006 111.411 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.86 104.66 11.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.942 0.897 . . . . 63.420000000000002 110.458 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -132.14 174.76 9.87 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.915 0.886 . . . . 73.549999999999997 110.074 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.79 173.77 16.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 112.939 0.718 . . . . 72.420000000000002 112.939 -169.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.88 133.73 50.63 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.103 0.961 . . . . 74.420000000000002 110.922 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -80.16 81.43 6.41 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.869 0.842 . . . . 74.040000000000006 110.654 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.72 -175.34 4.87 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 115.222 -0.899 . . . . 74.329999999999998 111.363 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.3 -9.29 58.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.701 0.8 . . . . 71.510000000000005 112.663 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.24 107.03 0.97 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.684 0.794 . . . . 64.430000000000007 111.764 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.7 pt -98.08 174.24 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.236 0.614 . . . . 73.230000000000004 111.027 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.582 2.176 0 C-N-CA 123.414 0.685 . . . . 65.230000000000004 112.284 178.356 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.534 0.207 . . . . 73.450000000000003 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.81 86.49 0.36 Allowed Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.471 -0.332 . . . . 63.039999999999999 112.974 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.02 113.33 8.94 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.757 0.823 . . . . 74.439999999999998 110.426 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -135.28 128.33 31.63 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.437 0.695 . . . . 72.299999999999997 111.872 -174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -103.51 111.39 23.81 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.811 0.845 . . . . 74.239999999999995 109.728 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -136.93 -16.09 1.49 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.939 0.496 . . . . 72.400000000000006 111.894 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -73.53 126.54 30.46 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.078 0.551 . . . . 74.299999999999997 111.423 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -89.34 97.89 11.45 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.401 1.08 . . . . 75.519999999999996 110.109 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -130.65 133.28 45.99 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 112.77 0.655 . . . . 64.010000000000005 112.77 -172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -123.88 127.86 48.63 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.984 1.314 . . . . 71.540000000000006 109.362 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtm -119.68 156.2 30.94 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.253 0.621 . . . . 73.439999999999998 110.862 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -94.55 146.55 24.03 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.35 0.66 . . . . 74.239999999999995 111.238 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -138.22 83.67 1.99 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.749 0.819 . . . . 71.299999999999997 108.803 169.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.2 t -87.47 163.46 16.69 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.798 0.839 . . . . 73.420000000000002 112.268 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.1 t -147.12 143.75 28.51 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.196 0.998 . . . . 75.540000000000006 110.382 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 165.32 21.34 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.203 0.525 . . . . 74.340000000000003 111.889 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 tp -153.44 174.36 14.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.542 1.137 . . . . 73.239999999999995 109.162 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.09 97.56 0.12 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 109.787 -0.449 . . . . 71.209999999999994 109.787 168.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 85.35 3.04 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.385 0.612 . . . . 55.350000000000001 110.7 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -80.25 81.54 6.49 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.392 0.615 . . . . 74.439999999999998 109.901 176.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.37 82.5 8.3 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.703 0.763 . . . . 74.420000000000002 109.208 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -73.92 177.66 5.44 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.496 -1.229 . . . . 73.340000000000003 112.65 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.483 ' HA ' HD12 ' A' ' 26' ' ' LEU . 71.7 ttt180 -61.42 -32.33 72.28 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.016 0.927 . . . . 71.219999999999999 110.689 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.92 -34.24 77.35 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.698 -1.137 . . . . 73.230000000000004 111.38 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.685 ' HA ' HG22 ' A' ' 37' ' ' VAL . 6.2 tm-20 -67.78 -45.57 74.47 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.273 0.629 . . . . 72.140000000000001 110.334 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 23' ' ' ARG . 65.6 mt -56.1 -46.19 79.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.395 1.078 . . . . 74.409999999999997 112.29 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HD3' HD12 ' A' ' 64' ' ' LEU . 7.4 ptp180 -72.65 -34.42 67.26 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.079 0.552 . . . . 74.209999999999994 111.782 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.11 67.87 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.538 0.735 . . . . 70.439999999999998 112.592 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.56 -25.13 67.84 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.571 0.748 . . . . 73.400000000000006 111.701 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -36.32 78.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.464 0.705 . . . . 74.329999999999998 111.8 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.14 -5.33 55.2 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.708 0.803 . . . . 64.030000000000001 112.251 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 62.24 59.49 1.6 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.877 1.271 . . . . 72.530000000000001 111.895 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 HD13 HD12 ' A' ' 65' ' ' ILE . 51.2 mm -70.41 120.93 81.63 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-N 115.442 -0.799 . . . . 72.239999999999995 109.837 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.52 6.41 4.83 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.052 2.501 . . . . 75.340000000000003 114.64 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -108.89 157.96 35.45 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 123.447 0.699 . . . . 62.219999999999999 111.629 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.76 128.51 22.29 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 121.825 1.683 . . . . 62.450000000000003 109.34 159.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' A' ' 25' ' ' GLU . 58.7 t -70.42 -28.85 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 112.288 0.477 . . . . 72.019999999999996 112.288 -172.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -36.06 82.79 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.968 -0.382 . . . . 63.130000000000003 109.968 171.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -64.72 -37.53 87.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.744 0.818 . . . . 75.420000000000002 111.5 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.44 -48.51 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 123.42 0.688 . . . . 74.409999999999997 111.052 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.16 -26.13 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 C-N-CA 123.957 0.903 . . . . 72.099999999999994 111.464 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -83.31 -38.1 22.56 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.51 0.724 . . . . 64.310000000000002 111.97 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.59 120.45 75.56 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.997 0.919 . . . . 70.530000000000001 111.716 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.87 165.7 18.06 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 122.962 2.441 . . . . 62.399999999999999 112.167 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.43 -52.71 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 113.288 0.847 . . . . 74.420000000000002 113.288 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.2 t -60.64 -41.63 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.17 0.51 . . . . 73.109999999999999 111.955 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.71 -41.7 78.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.299 1.04 . . . . 73.230000000000004 112.052 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.069 -0.969 . . . . 74.319999999999993 111.434 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -64.71 -35.86 82.43 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.819 0.848 . . . . 72.340000000000003 111.121 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.0 tp10 -59.48 -48.52 81.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.688 0.795 . . . . 72.150000000000006 110.881 172.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.97 -45.84 84.01 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.645 0.778 . . . . 72.150000000000006 112.454 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.5 ' HA ' ' HE2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -74.07 -16.29 61.04 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.504 0.557 . . . . 72.510000000000005 112.504 -176.192 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -86.29 -23.5 26.29 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.241 0.616 . . . . 75.019999999999996 111.578 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 29.8 mtpp -78.32 -47.65 17.32 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.048 0.539 . . . . 75.409999999999997 111.054 173.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -87.43 145.09 26.43 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.674 0.789 . . . . 74.349999999999994 110.841 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.04 130.66 38.55 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.915 0.486 . . . . 73.519999999999996 110.856 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.5 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 92.5 m-85 -128.29 159.46 35.2 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.508 0.723 . . . . 74.030000000000001 111.595 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -78.61 154.02 30.63 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 115.417 -0.811 . . . . 64.230000000000004 109.318 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.48 -41.92 81.61 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.112 0.965 . . . . 64.25 111.32 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.51 77.84 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.859 0.864 . . . . 74.409999999999997 112.084 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.99 -54.46 46.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.198 0.599 . . . . 74.239999999999995 111.555 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.99 -41.74 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.996 0.918 . . . . 74.450000000000003 112.796 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.95 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.835 0.854 . . . . 74.120000000000005 112.838 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.41 HD12 ' HD3' ' A' ' 27' ' ' ARG . 54.8 tp -71.92 -37.87 69.98 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.335 -0.393 . . . . 73.450000000000003 112.024 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.415 HD12 HD13 ' A' ' 33' ' ' ILE . 68.8 mt -57.55 -40.49 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 C-N-CA 123.536 0.734 . . . . 74.420000000000002 111.901 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.61 -34.99 75.05 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.521 0.729 . . . . 74.409999999999997 111.877 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.21 -51.34 25.27 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 122.996 0.518 . . . . 75.040000000000006 111.134 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.34 -44.42 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.08 0.952 . . . . 73.219999999999999 112.559 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -50.63 71.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.518 0.727 . . . . 73.099999999999994 110.516 -176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -70.36 -45.75 65.46 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.297 0.639 . . . . 74.420000000000002 112.251 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.621 ' HA ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -75.04 -62.75 1.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.788 0.435 . . . . 73.230000000000004 110.081 -175.478 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.59 50.94 Favored Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.019 1.167 . . . . 63.130000000000003 116.019 170.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -83.92 -64.72 1.11 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.886 0.874 . . . . 74.040000000000006 112.19 -172.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -127.81 -79.21 0.58 Allowed 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 123.044 0.537 . . . . 75.530000000000001 112.207 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -78.51 124.39 28.09 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 122.642 0.377 . . . . 75.040000000000006 111.591 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.621 HG13 ' HA ' ' A' ' 71' ' ' ARG . 27.4 m -79.93 64.27 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 CA-C-O 122.49 1.138 . . . . 74.540000000000006 111.653 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 145.32 8.28 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.564 1.145 . . . . 55.229999999999997 110.194 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.02 81.61 6.25 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.242 0.617 . . . . 64.420000000000002 111.101 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -155.08 152.91 30.12 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.008 0.923 . . . . 72.200000000000003 110.745 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.93 92.95 1.67 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.246 0.619 . . . . 70.129999999999995 109.996 174.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.9 t -70.2 106.42 3.3 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.815 -0.629 . . . . 55.030000000000001 111.133 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -80.61 127.27 32.27 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 109.442 -0.577 . . . . 73.129999999999995 109.442 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.595 ' HZ3' ' HB3' ' A' ' 83' ' ' LYS . 7.3 mtpm? -85.18 122.68 29.72 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.342 0.497 . . . . 73.400000000000006 112.342 -170.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -94.55 -169.26 2.0 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.925 0.89 . . . . 71.239999999999995 110.067 173.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.15 144.43 29.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.846 -0.533 . . . . 74.430000000000007 110.778 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.77 145.2 50.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.338 0.655 . . . . 74.230000000000004 111.049 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.53 127.99 34.22 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.949 0.5 . . . . 70.129999999999995 110.97 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -69.53 144.35 53.16 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.427 0.691 . . . . 75.219999999999999 110.907 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.2 pt -72.26 145.77 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.115 0.566 . . . . 72.219999999999999 111.285 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 CA--C 1.57 1.748 0 C-N-CA 123.233 0.613 . . . . 74.140000000000001 111.579 -175.169 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.418 0.151 . . . . 75.010000000000005 111.147 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.12 141.9 13.06 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 123.091 0.377 . . . . 64.349999999999994 112.449 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -153.61 72.52 0.92 Allowed 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.257 0.551 . . . . 72.409999999999997 110.758 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -145.09 112.99 6.38 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.983 0.913 . . . . 72.329999999999998 109.77 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -126.07 116.19 21.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.692 0.797 . . . . 75.239999999999995 110.142 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -133.84 133.45 41.6 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.0 0.92 . . . . 70.409999999999997 110.937 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -143.88 78.72 1.6 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.983 0.913 . . . . 74.230000000000004 109.515 170.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -74.06 89.38 1.95 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.109 0.48 . . . . 75.200000000000003 109.861 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -112.34 162.34 15.65 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.075 0.95 . . . . 73.25 111.86 -172.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -83.91 137.25 33.75 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.693 0.797 . . . . 74.430000000000007 111.222 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -157.16 152.8 26.74 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.955 0.902 . . . . 74.140000000000001 108.819 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -50.0 124.35 9.9 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 124.092 0.957 . . . . 73.120000000000005 113.024 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -65.21 93.68 0.14 Allowed 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 122.008 0.909 . . . . 73.030000000000001 111.663 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 p -146.22 104.23 3.78 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.97 0.908 . . . . 75.430000000000007 109.808 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.3 m -79.05 69.98 5.32 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.717 0.77 . . . . 73.099999999999994 110.689 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -144.11 124.29 13.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.415 1.086 . . . . 74.120000000000005 110.559 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.28 138.81 42.11 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.318 -0.993 . . . . 75.400000000000006 108.318 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -65.53 93.2 0.15 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.263 0.625 . . . . 73.230000000000004 111.028 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.32 -36.85 24.1 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.057 0.943 . . . . 62.549999999999997 111.31 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -85.31 64.61 8.76 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 121.949 0.88 . . . . 71.319999999999993 110.324 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.12 92.64 9.22 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.559 0.744 . . . . 74.450000000000003 110.342 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -74.88 173.73 10.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 65.239999999999995 111.55 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -51.99 -44.08 63.9 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.153 0.981 . . . . 74.540000000000006 112.229 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -68.55 -41.63 79.53 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 124.602 1.161 . . . . 73.409999999999997 112.551 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.11 -39.67 79.26 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.372 0.669 . . . . 64.409999999999997 111.912 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.33 -39.84 95.67 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.61 0.764 . . . . 75.230000000000004 111.703 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -71.69 -36.81 70.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.364 0.666 . . . . 75.109999999999999 112.343 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -48.71 72.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.944 0.498 . . . . 73.329999999999998 110.916 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.41 -28.09 69.75 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.687 -0.688 . . . . 74.129999999999995 111.396 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.53 92.74 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.029 0.532 . . . . 75.329999999999998 111.734 174.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.57 -5.18 59.1 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.199 0.6 . . . . 74.540000000000006 112.585 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 61.77 49.01 5.09 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.599 1.16 . . . . 73.430000000000007 110.97 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.82 126.65 92.19 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.591 0.757 . . . . 75.310000000000002 109.337 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.74 -10.27 24.21 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.12 2.546 . . . . 72.319999999999993 114.968 -174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.16 151.85 43.96 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 123.494 0.718 . . . . 75.109999999999999 111.259 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.79 143.71 74.76 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 121.997 1.798 . . . . 71.120000000000005 109.968 159.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 HG23 ' A' ' 68' ' ' ILE . 73.5 t -58.86 -32.81 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 113.09 0.774 . . . . 74.120000000000005 113.09 -173.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.52 -35.07 60.28 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 112.349 0.5 . . . . 74.409999999999997 112.349 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -55.8 -51.24 68.16 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.27 0.628 . . . . 74.200000000000003 111.923 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -62.65 -37.44 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 123.59 0.756 . . . . 72.549999999999997 110.6 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.03 -40.63 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.883 0.873 . . . . 75.140000000000001 111.956 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 12.9 m120 -76.72 -24.86 53.07 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.495 0.554 . . . . 71.299999999999997 112.495 -175.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 108.54 23.82 Favored Pre-proline 0 CA--C 1.566 1.565 0 C-N-CA 123.265 0.626 . . . . 72.319999999999993 111.636 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 42' ' ' ASN . 6.4 Cg_exo -74.41 -172.0 1.07 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 123.009 2.472 . . . . 71.439999999999998 112.125 172.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -53.33 -56.56 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 113.285 0.846 . . . . 72.340000000000003 113.285 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.83 -52.87 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 121.109 0.48 . . . . 75.329999999999998 111.931 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 6.0 m-20 -67.87 -38.97 83.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.616 0.767 . . . . 72.129999999999995 112.987 -174.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.19 -43.17 64.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.107 0.563 . . . . 55.140000000000001 112.309 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -56.1 -27.09 52.39 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.927 0.714 . . . . 71.450000000000003 112.927 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.01 -48.74 75.36 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.594 0.758 . . . . 74.530000000000001 112.217 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.4 tpt -70.58 -43.45 69.39 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.301 0.64 . . . . 74.450000000000003 111.662 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.401 ' SD ' ' NH2' ' A' ' 66' ' ' ARG . 56.9 ttp -65.32 -31.73 73.01 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.635 0.774 . . . . 73.439999999999998 111.691 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 t -70.97 -41.41 71.06 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.582 0.753 . . . . 73.540000000000006 111.015 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -64.7 -49.23 71.71 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.406 -1.27 . . . . 65.25 111.673 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.48 130.5 19.44 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.284 0.634 . . . . 74.340000000000003 109.93 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.52 153.9 41.86 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.861 0.864 . . . . 74.030000000000001 112.994 -173.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . 47.8 m-85 -120.22 156.17 31.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.296 1.038 . . . . 71.430000000000007 108.392 171.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -69.66 156.72 38.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.33 0.252 . . . . 73.530000000000001 111.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.18 -33.87 71.44 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.565 0.746 . . . . 74.219999999999999 112.764 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.38 95.98 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.617 0.767 . . . . 72.329999999999998 111.82 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -69.39 -54.31 15.07 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.193 0.997 . . . . 75.109999999999999 111.136 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.593 HD22 HH12 ' A' ' 66' ' ' ARG . 82.4 mt -62.47 -27.74 69.34 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.825 0.85 . . . . 74.140000000000001 112.655 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.21 -59.52 4.55 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.765 0.826 . . . . 73.430000000000007 111.735 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.67 -45.11 85.99 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.716 0.806 . . . . 75.409999999999997 111.272 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.93 -35.76 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 123.817 0.847 . . . . 72.409999999999997 112.39 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.593 HH12 HD22 ' A' ' 62' ' ' LEU . 59.2 mmt-85 -64.34 -51.15 64.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 110.116 -0.328 . . . . 75.040000000000006 110.116 175.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 22.5 m-20 -59.42 -38.35 80.42 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.009 0.924 . . . . 72.099999999999994 112.409 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.469 HG23 HG12 ' A' ' 37' ' ' VAL . 84.6 mt -61.62 -45.71 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.393 0.677 . . . . 74.310000000000002 111.13 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.92 -30.1 71.07 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.22 0.608 . . . . 74.310000000000002 112.079 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 22.9 mmt85 -65.11 -47.75 76.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.766 0.426 . . . . 73.129999999999995 110.235 173.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 11.3 mmm180 -75.23 -24.9 57.75 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 116.104 -0.498 . . . . 74.219999999999999 111.05 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.95 -170.5 44.17 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 115.516 -0.766 . . . . 33.109999999999999 112.606 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -92.4 57.97 3.1 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-O 121.65 0.738 . . . . 64.120000000000005 112.75 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -82.2 70.04 9.05 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.974 0.893 . . . . 61.009999999999998 109.614 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.34 101.46 10.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.419 -0.809 . . . . 64.319999999999993 109.047 176.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.7 t -66.25 -45.56 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.912 0.885 . . . . 74.219999999999999 111.625 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.51 108.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.834 1.254 . . . . 62.25 111.257 -172.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 73.73 149.36 0.1 Allowed 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 125.365 1.466 . . . . 72.030000000000001 112.457 -172.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -125.08 138.81 54.18 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.509 0.724 . . . . 74.209999999999994 111.673 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -135.71 107.52 7.05 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.973 0.909 . . . . 75.310000000000002 109.898 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.4 m -143.01 80.38 1.68 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.567 0.747 . . . . 73.310000000000002 111.195 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -154.35 -1.9 0.18 Allowed 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.46 0.704 . . . . 75.140000000000001 112.586 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.98 76.96 2.19 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.645 0.736 . . . . 74.409999999999997 111.108 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -101.85 100.18 10.48 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.938 0.895 . . . . 75.439999999999998 109.128 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -153.32 172.48 16.96 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.164 0.586 . . . . 73.25 111.889 -171.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.42 95.52 4.46 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.598 -0.728 . . . . 72.340000000000003 109.328 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -110.72 150.89 28.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.462 0.705 . . . . 71.150000000000006 110.55 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -77.29 170.07 17.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.501 0.72 . . . . 73.420000000000002 112.817 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.2 tt -152.05 142.07 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.604 0.762 . . . . 74.129999999999995 110.357 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.577 1.981 0 C-N-CA 123.427 0.691 . . . . 71.439999999999998 111.472 176.736 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.261 0.553 . . . . 74.05 109.614 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -72.07 177.65 4.26 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.276 1.03 . . . . 50.3 112.481 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.73 -36.52 72.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.521 0.729 . . . . 74.14 111.564 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' ' 68' ' ' ILE . 5.2 m-20 -62.37 -28.66 69.92 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.958 0.903 . . . . 64.12 111.914 176.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.26 -44.35 65.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.626 0.77 . . . . 73.01 110.051 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.86 -39.13 84.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.761 0.824 . . . . 75.0 111.416 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -71.68 -31.8 67.17 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.209 1.004 . . . . 75.54 111.647 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.74 87.94 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.43 111.025 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -67.57 -38.34 83.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.546 0.738 . . . . 74.3 111.923 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.48 92.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.306 0.643 . . . . 72.33 112.243 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.3 -8.46 50.83 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.425 0.69 . . . . 74.23 112.526 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 59.07 58.99 2.92 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.303 1.041 . . . . 74.31 111.738 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.0 mm -74.16 131.46 80.92 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.834 0.854 . . . . 64.44 110.657 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.01 -6.28 18.71 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 122.784 2.323 . . . . 72.24 114.279 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' H ' HG22 ' A' ' 33' ' ' ILE . 25.1 m-85 -125.44 150.6 68.21 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.752 0.821 . . . . 73.35 109.36 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.59 157.62 61.08 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 121.996 1.797 . . . . 45.02 113.099 174.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.03 -47.0 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 C-N-CA 125.642 1.577 . . . . 72.53 112.304 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.76 -46.66 84.21 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.859 1.264 . . . . 73.31 112.666 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -69.8 -30.52 68.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.869 0.692 . . . . 65.42 112.869 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -38.33 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.007 0.523 . . . . 53.14 110.767 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mt -77.3 -40.59 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.496 0.718 . . . . 73.43 111.141 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -77.58 -22.19 51.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.425 0.898 . . . . 42.55 113.425 -172.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.96 111.74 44.61 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 122.908 0.483 . . . . 74.43 110.207 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.73 162.41 25.1 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.781 2.321 . . . . 50.42 111.944 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.14 -43.0 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.108 0.563 . . . . 73.41 112.205 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.49 -52.03 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.553 0.741 . . . . 64.52 112.043 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 -37.02 74.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.049 0.94 . . . . 73.03 111.806 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.41 -31.36 71.52 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.475 1.11 . . . . 75.3 111.132 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' MET . 4.7 m-20 -56.61 -29.35 62.04 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 112.796 0.665 . . . . 72.0 112.796 175.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.07 -39.24 92.95 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.965 0.412 . . . . 71.21 110.974 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 1.2 mpt? -66.46 -42.02 88.19 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.695 0.798 . . . . 62.14 111.941 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 49' ' ' ASN . 22.0 ptp -75.2 -17.51 60.35 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 112.112 0.412 . . . . 74.02 112.112 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -68.43 -26.4 65.5 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.956 0.503 . . . . 63.42 111.053 171.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.6 -53.18 4.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.284 0.564 . . . . 73.33 110.782 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -118.47 122.89 43.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.213 1.005 . . . . 44.11 110.706 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.08 144.41 52.14 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.577 0.351 . . . . 73.15 110.732 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.23 130.55 56.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.186 0.594 . . . . 72.34 110.116 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.1 165.6 23.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.648 0.779 . . . . 72.23 111.876 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.8 -38.45 67.32 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.856 0.862 . . . . 70.41 113.246 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.5 69.36 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.68 0.792 . . . . 64.24 111.543 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.64 -46.52 89.43 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.474 0.71 . . . . 70.21 111.485 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.25 -37.25 82.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.759 0.823 . . . . 64.54 112.354 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.199 0.6 . . . . 73.11 111.904 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.05 -48.73 56.69 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.087 0.555 . . . . 73.34 111.568 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.78 -34.0 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.922 0.889 . . . . 63.25 111.202 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -65.5 -48.18 73.45 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.018 0.927 . . . . 60.01 111.029 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -74.09 -47.64 35.05 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.869 0.868 . . . . 71.53 112.477 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG12 ' HB3' ' A' ' 24' ' ' ASP . 51.9 mt -53.15 -48.48 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 124.385 1.074 . . . . 63.43 112.518 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -62.24 -29.71 70.59 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.868 0.867 . . . . 74.53 112.386 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -79.36 -24.91 42.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.473 0.709 . . . . 71.42 112.242 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 . . . . . 0 N--CA 1.479 1.022 0 C-N-CA 122.941 0.496 . . . . 73.21 111.202 -175.089 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 CA--C 1.548 0.9 0 CA-C-O 121.023 0.44 . . . . 73.34 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -68.44 175.15 3.55 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.856 0.862 . . . . 71.12 111.83 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -55.47 -42.57 74.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.545 0.738 . . . . 62.1 112.148 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.531 ' HB2' HG11 ' A' ' 37' ' ' VAL . 4.9 m-20 -77.78 -28.79 50.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 74.21 112.369 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 9.9 mm-40 -60.1 -38.17 82.17 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.893 0.477 . . . . 63.1 110.498 172.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.26 -45.89 89.99 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.408 0.683 . . . . 35.32 110.835 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -66.82 -35.24 79.6 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.381 -0.827 . . . . 74.33 111.309 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -44.62 76.16 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.173 0.989 . . . . 41.4 112.271 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 24.4 mmtp -74.68 -24.53 58.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.658 0.383 . . . . 73.13 110.891 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.63 69.14 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.585 0.754 . . . . 73.51 111.434 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD12 HD22 ' A' ' 64' ' ' LEU . 96.7 mt -92.24 -9.46 42.11 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.733 . . . . 65.22 112.716 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 65.3 58.56 0.85 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 124.724 1.21 . . . . 75.4 112.338 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 35' ' ' PHE . 35.8 mm -75.22 126.51 87.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 123.012 0.525 . . . . 62.11 110.327 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.81 -4.1 13.37 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.314 2.676 . . . . 72.35 114.35 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.675 ' H ' HG22 ' A' ' 33' ' ' ILE . 39.5 m-85 -115.82 158.99 40.76 Favored Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.577 1.151 . . . . 72.12 110.733 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -79.52 143.63 17.23 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 121.864 1.71 . . . . 75.31 111.3 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 24' ' ' ASP . 76.2 t -56.53 -36.03 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.728 0.811 . . . . 74.24 111.861 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -50.81 -51.59 49.39 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.867 0.867 . . . . 74.24 111.608 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.64 -43.74 83.81 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.769 0.655 . . . . 63.32 112.769 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 35' ' ' PHE . 49.7 mt -62.32 -29.19 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 118.794 0.725 . . . . 73.15 111.783 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -69.25 -46.25 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.729 0.412 . . . . 74.35 111.101 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -92.45 0.28 57.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.623 0.972 . . . . 53.23 113.623 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.3 122.71 68.33 Favored Pre-proline 0 N--CA 1.479 1.009 0 N-CA-C 108.953 -0.758 . . . . 71.44 108.953 171.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.71 132.85 54.58 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.392 2.061 . . . . 61.1 111.596 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG13 HH11 ' A' ' 69' ' ' ARG . 76.9 t -52.37 -31.32 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.841 0.856 . . . . 63.1 112.265 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.08 -52.54 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 122.945 0.498 . . . . 33.32 111.154 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.99 -38.64 89.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.843 0.857 . . . . 70.31 111.756 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.74 -37.32 65.12 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.223 -0.444 . . . . 73.32 111.607 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.56 -32.42 62.41 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 112.043 0.386 . . . . 63.12 112.043 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.4 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.294 0.637 . . . . 73.13 110.49 173.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.9 ttm -69.52 -54.85 12.16 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.085 -0.961 . . . . 71.41 110.446 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.12 -28.72 68.1 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.264 1.426 . . . . 61.03 113.604 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -59.25 -29.78 67.8 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.2 0.6 . . . . 50.41 112.547 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.39 -47.19 4.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.559 0.743 . . . . 73.02 110.798 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.07 83.59 2.93 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.426 0.69 . . . . 60.11 110.089 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.34 160.72 30.67 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.352 -0.84 . . . . 75.45 113.061 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -135.51 168.07 19.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.946 0.898 . . . . 71.43 110.473 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.74 157.43 37.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.256 0.622 . . . . 53.1 110.718 171.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.04 -40.99 74.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.57 0.748 . . . . 53.33 112.732 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.81 -37.24 79.09 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.767 0.827 . . . . 64.44 112.001 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.51 -42.65 95.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.378 0.671 . . . . 75.33 111.436 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 99.4 mt -64.38 -38.13 89.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.538 0.735 . . . . 54.25 112.046 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.48 83.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.063 0.545 . . . . 74.14 111.772 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -69.6 -43.18 73.32 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.299 0.639 . . . . 51.14 111.774 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.73 -34.16 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.632 0.773 . . . . 71.21 111.966 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 86.1 mtt180 -61.83 -40.24 94.62 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.216 0.606 . . . . 75.34 111.422 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.2 -45.78 58.92 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.561 0.744 . . . . 70.04 111.19 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -47.42 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 C-N-CA 123.679 0.792 . . . . 75.43 111.911 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.467 HH11 HG13 ' A' ' 45' ' ' VAL . 68.8 mtm180 -65.42 -29.16 69.81 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.803 0.441 . . . . 72.41 111.757 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -68.51 -24.68 64.69 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.083 0.553 . . . . 72.24 111.296 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 123.297 0.639 . . . . 63.03 111.548 173.141 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt . . . . . 0 CA--C 1.549 0.917 0 CA-C-O 121.034 0.445 . . . . 75.44 111.693 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 p -71.78 173.67 7.9 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.733 -0.667 . . . . 74.14 110.58 170.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -59.66 -36.22 75.98 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.146 0.974 . . . . 70.44 109.657 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.52 -41.21 63.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 113.463 -1.699 . . . . 73.51 111.1 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.96 -38.91 87.58 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.65 0.78 . . . . 72.34 111.636 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.03 -50.23 67.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.482 0.713 . . . . 74.52 111.898 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -69.75 -30.79 68.47 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.879 0.472 . . . . 75.01 111.702 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -54.06 29.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.259 0.624 . . . . 73.44 111.046 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.12 -23.2 64.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.429 0.692 . . . . 54.12 111.76 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.59 85.08 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.301 0.64 . . . . 40.32 111.566 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 64' ' ' LEU . 32.5 mt -83.74 4.21 29.87 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.521 0.728 . . . . 75.34 112.121 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 59.52 49.01 9.02 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.912 1.285 . . . . 73.11 112.148 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.2 119.96 71.26 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 108.527 -0.916 . . . . 75.52 108.527 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.16 -3.81 13.64 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.5 2.133 . . . . 72.53 113.928 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.512 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 23.1 m-85 -123.29 156.84 62.9 Favored Pre-proline 0 CA--C 1.56 1.331 0 C-N-CA 124.12 0.968 . . . . 72.1 110.395 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 158.19 55.31 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 121.844 1.696 . . . . 71.32 112.673 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.72 -44.37 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 124.56 1.144 . . . . 45.23 112.719 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.01 -34.01 69.56 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.362 0.665 . . . . 73.22 112.224 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 62.7 tttp -71.73 -39.98 69.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.932 0.493 . . . . 71.42 112.057 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -42.95 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 121.129 0.49 . . . . 64.53 110.138 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.2 -37.6 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.993 0.917 . . . . 75.13 111.088 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -76.85 -31.59 56.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.673 0.789 . . . . 71.12 112.138 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.78 113.22 30.57 Favored Pre-proline 0 N--CA 1.483 1.2 0 C-N-CA 123.703 0.801 . . . . 72.35 111.732 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.98 163.21 34.71 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.631 2.221 . . . . 63.42 111.834 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.02 -40.14 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.943 0.497 . . . . 71.42 112.267 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.68 -51.11 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 C-N-CA 123.027 0.531 . . . . 63.14 111.517 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.11 -35.15 76.26 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.891 0.876 . . . . 71.05 111.619 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 28.0 t80 -74.73 -32.75 62.21 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.667 -0.697 . . . . 61.4 111.793 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -46.12 89.83 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.879 0.472 . . . . 64.13 110.076 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.61 -46.63 89.02 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.081 0.952 . . . . 72.14 111.237 172.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -60.98 -39.23 88.81 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.54 0.736 . . . . 73.41 111.953 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 47.2 ttp -76.61 -30.52 56.96 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.526 1.131 . . . . 71.32 111.807 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 m -64.03 -34.0 77.03 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.032 0.533 . . . . 73.42 111.612 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -87.87 -52.57 5.21 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.296 0.638 . . . . 63.24 109.782 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.73 111.94 23.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 72.13 111.013 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -81.1 114.4 19.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.205 0.602 . . . . 74.42 110.725 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -101.1 170.14 8.47 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.297 0.639 . . . . 75.41 111.212 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -85.09 158.85 20.31 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.039 0.536 . . . . 73.42 110.494 172.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.48 -34.73 78.96 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.779 0.432 . . . . 70.43 111.88 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.35 71.21 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.305 0.642 . . . . 70.24 111.538 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.9 -54.14 35.44 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.963 0.505 . . . . 72.11 110.678 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.51 -33.15 67.75 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.972 0.909 . . . . 75.12 112.359 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -57.46 -58.7 7.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.507 0.723 . . . . 74.1 111.184 174.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -66.29 -39.2 89.2 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.924 -177.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.464 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 69.3 mt -54.71 -46.61 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.795 0.838 . . . . 54.23 111.664 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.546 HH21 ' HA ' ' A' ' 63' ' ' ALA . 84.9 mtm180 -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.478 -0.328 . . . . 74.24 111.534 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -62.16 -44.57 96.32 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.291 0.636 . . . . 73.24 111.936 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.66 -41.84 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.238 1.015 . . . . 60.41 111.279 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -73.67 -31.05 63.27 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 112.398 0.518 . . . . 73.22 112.398 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 45.4 mtm105 -64.22 -45.25 89.06 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.098 0.475 . . . . 43.44 110.266 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 . . . . . 0 N--CA 1.485 1.307 0 C-N-CA 124.498 1.119 . . . . 55.14 111.64 174.9 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.2 0.524 . . . . 74.14 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -81.22 175.91 10.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.089 0.956 . . . . 63.23 111.061 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -49.92 -51.38 41.37 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.901 0.88 . . . . 71.23 112.291 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -61.75 -44.27 97.22 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.881 1.272 . . . . 72.11 112.636 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.45 -34.69 74.37 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.304 0.641 . . . . 71.33 112.215 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.58 -33.1 66.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.486 0.715 . . . . 73.12 111.629 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -71.1 -35.58 71.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.417 0.687 . . . . 73.01 110.837 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.78 95.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.802 0.841 . . . . 73.34 110.983 174.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.77 -40.34 79.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.583 0.753 . . . . 71.24 111.481 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.16 94.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.765 0.826 . . . . 74.02 112.677 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.64 -5.09 52.22 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.362 0.665 . . . . 74.24 112.245 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m80 61.84 58.76 1.87 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.245 1.018 . . . . 75.13 112.046 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 35' ' ' PHE . 28.8 mm -70.48 130.8 88.72 Favored Pre-proline 0 CA--C 1.561 1.402 0 CA-C-N 115.371 -0.831 . . . . 75.42 109.774 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -55.98 -23.8 45.18 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.096 2.531 . . . . 72.22 114.451 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.684 ' H ' HG22 ' A' ' 33' ' ' ILE . 37.5 m-85 -113.69 161.35 28.02 Favored Pre-proline 0 CA--C 1.563 1.448 0 C-N-CA 123.967 0.907 . . . . 74.22 112.259 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.86 165.25 31.71 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.831 2.354 . . . . 72.52 111.975 162.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.65 -42.32 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 122.814 0.446 . . . . 71.01 111.778 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.64 -35.66 31.63 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.994 0.918 . . . . 75.32 112.058 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HE3' HD11 ' A' ' 43' ' ' LEU . 59.0 tptt -62.29 -51.95 65.66 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.862 0.865 . . . . 74.04 111.409 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -36.7 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 123.109 0.563 . . . . 73.44 110.996 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.5 -44.55 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.311 0.645 . . . . 63.44 111.458 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.19 -41.41 49.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.134 0.574 . . . . 53.4 112.003 -173.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.589 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.7 mt -64.98 112.71 8.74 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 123.442 0.697 . . . . 63.45 111.778 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.1 151.49 81.54 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.367 2.045 . . . . 63.55 111.304 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -39.1 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 123.719 0.808 . . . . 71.1 112.767 -170.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -59.61 -53.34 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.11 0.564 . . . . 70.04 112.268 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.96 -35.98 77.38 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.39 0.676 . . . . 71.5 111.876 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -68.98 -35.55 76.84 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.035 -0.53 . . . . 74.35 111.23 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.99 -38.29 82.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.094 0.557 . . . . 75.21 111.671 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.4 -41.97 75.7 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.79 0.436 . . . . 62.3 111.248 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.9 ttm -59.38 -42.88 92.72 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.555 0.742 . . . . 73.1 111.354 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.8 ttp -72.94 -29.72 63.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.986 1.315 . . . . 72.41 111.792 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.3 t -69.88 -37.78 76.14 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.519 0.727 . . . . 71.52 111.453 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -77.43 -52.94 8.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.706 0.765 . . . . 75.33 110.049 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -105.9 80.19 1.5 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.582 -1.19 . . . . 64.24 109.258 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.5 104.31 2.29 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.745 -0.662 . . . . 52.2 110.965 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.69 166.08 23.93 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.522 0.729 . . . . 74.51 111.041 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.81 152.52 45.2 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.045 0.538 . . . . 74.54 109.98 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.01 -30.04 70.06 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.062 0.764 . . . . 65.54 113.062 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.31 67.17 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.443 0.697 . . . . 71.03 111.377 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.32 -44.2 97.06 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.488 0.715 . . . . 73.33 111.3 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.11 -35.49 80.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.153 0.981 . . . . 63.02 111.53 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.4 80.07 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.363 0.665 . . . . 70.45 112.12 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -67.57 -41.4 84.21 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.985 0.514 . . . . 74.2 110.765 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.53 -38.56 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 C-N-CA 123.627 0.771 . . . . 73.12 111.53 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.68 -51.09 68.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.116 0.484 . . . . 74.21 110.072 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.5 -50.74 70.9 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 114.597 -1.183 . . . . 71.22 111.625 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.5 -39.53 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 C-N-CA 123.933 0.893 . . . . 70.24 112.049 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -71.95 -48.33 46.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.463 0.705 . . . . 75.33 112.12 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.07 -29.07 69.93 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.522 0.729 . . . . 74.41 111.753 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 . . . . . 0 CA--C 1.549 0.914 0 C-N-CA 123.338 0.655 . . . . 71.43 111.724 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.314 0.578 . . . . 72.44 110.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.3 p -82.77 177.92 8.43 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.551 0.74 . . . . 74.52 110.663 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -54.87 -42.37 71.95 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.427 0.691 . . . . 72.12 112.114 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.2 m-20 -76.25 -34.44 59.17 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.043 0.537 . . . . 63.42 112.296 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.47 -28.26 68.19 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.291 0.567 . . . . 71.41 111.101 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' THR . 79.1 mt -67.56 -43.79 79.78 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.608 -0.724 . . . . 61.24 111.66 172.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.7 ptp180 -66.77 -34.8 78.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 122.245 0.218 . . . . 75.13 110.801 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.33 98.2 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.3 0.64 . . . . 70.14 111.676 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.82 -36.01 79.9 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.714 0.806 . . . . 62.14 111.866 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.74 77.14 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.014 0.926 . . . . 64.44 113.235 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 64' ' ' LEU . 80.0 mt -108.73 9.26 27.03 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.34 0.656 . . . . 74.3 112.272 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.7 t60 57.61 59.03 3.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.444 1.098 . . . . 72.33 112.452 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.1 mm -69.84 128.1 92.07 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 109.212 -0.662 . . . . 75.44 109.212 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.23 -1.26 6.87 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.67 2.247 . . . . 73.44 114.086 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.597 ' H ' HG22 ' A' ' 33' ' ' ILE . 21.7 m-85 -128.03 155.7 77.4 Favored Pre-proline 0 CA--C 1.56 1.355 0 C-N-CA 124.307 1.043 . . . . 70.05 110.239 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.97 158.16 46.34 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.154 1.902 . . . . 64.11 112.429 165.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 68' ' ' ILE . 47.8 t -58.44 -40.73 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 C-N-CA 123.999 0.919 . . . . 63.42 112.001 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -51.18 -36.15 39.75 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.889 0.876 . . . . 74.22 111.966 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 87.8 tttt -78.57 -38.3 40.57 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.849 0.685 . . . . 63.14 112.849 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.58 -34.45 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 CA-C-N 118.962 0.801 . . . . 72.43 110.159 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.24 -30.86 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.552 0.741 . . . . 73.34 111.551 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -79.03 -22.43 45.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.898 0.479 . . . . 75.14 111.185 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.04 115.07 65.33 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.927 0.891 . . . . 64.0 109.989 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 13.7 Cg_exo -67.51 168.34 18.37 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.53 2.153 . . . . 55.13 112.257 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.443 HG22 ' HD2' ' A' ' 69' ' ' ARG . 58.5 t -60.84 -39.33 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 122.637 0.375 . . . . 51.14 111.441 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.7 -51.41 73.13 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.39 0 CA-C-O 121.239 0.543 . . . . 73.53 111.677 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.9 m-20 -76.21 -34.14 59.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.909 0.883 . . . . 71.34 112.272 -174.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -74.82 -38.17 62.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.359 0.664 . . . . 65.35 111.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.83 -28.32 67.46 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.649 0.38 . . . . 64.11 111.032 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -46.93 80.53 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.361 0.664 . . . . 73.51 109.475 171.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 tpt -58.58 -38.67 78.42 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.735 0.814 . . . . 53.02 111.594 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.0 ttt -72.02 -33.75 68.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.351 0.661 . . . . 71.01 111.815 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -59.79 -40.09 87.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.027 0.531 . . . . 73.04 110.757 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -72.99 -55.68 6.2 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.09 -0.504 . . . . 74.14 111.18 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -123.9 97.0 5.16 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.77 0.828 . . . . 75.42 110.722 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -73.48 136.63 44.19 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.771 0.828 . . . . 72.2 110.506 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -89.56 172.06 9.24 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.247 0.619 . . . . 72.22 110.399 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -70.02 156.96 38.39 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.973 0.509 . . . . 71.0 110.392 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.79 -40.52 76.07 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.466 0.706 . . . . 72.44 112.787 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.52 -36.42 68.32 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.67 0.788 . . . . 24.23 111.351 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.91 -46.54 84.35 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.063 0.545 . . . . 72.01 111.249 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.94 -41.46 96.31 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.861 0.865 . . . . 64.32 111.632 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -46.39 89.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.688 0.795 . . . . 41.42 111.246 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 31' ' ' LEU . 39.4 tp -63.5 -41.34 98.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.273 -0.876 . . . . 74.21 112.458 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -32.39 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 124.062 0.945 . . . . 32.43 111.738 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -67.14 -42.06 85.02 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.196 0.599 . . . . 71.22 110.927 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -68.21 -29.75 68.66 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.356 1.062 . . . . 73.44 111.479 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 37' ' ' VAL . 42.8 mt -74.66 -39.82 46.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.33 0 C-N-CA 124.017 0.927 . . . . 65.34 111.051 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HD2' HG22 ' A' ' 45' ' ' VAL . 58.6 ttp180 -73.06 -36.73 66.94 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.887 0.875 . . . . 72.11 112.698 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -23.69 67.47 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.819 0.448 . . . . 65.51 112.077 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? . . . . . 0 CA--C 1.559 1.308 0 C-N-CA 123.963 0.905 . . . . 74.02 109.93 174.733 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 113.532 0.938 . . . . 75.25 113.532 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -70.3 175.23 4.81 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.539 0.736 . . . . 72.45 111.827 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -64.73 -33.98 77.25 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.085 0.469 . . . . 74.13 109.99 176.787 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 18.2 m-20 -68.27 -35.79 78.42 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.904 0.882 . . . . 72.25 111.981 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.84 -35.19 77.54 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.462 0.705 . . . . 65.4 111.109 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.53 -36.41 76.36 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.567 0.747 . . . . 71.13 111.747 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 77.2 mtp180 -67.89 -34.61 76.99 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.62 0.768 . . . . 65.12 110.668 174.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.99 78.68 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.804 0.842 . . . . 44.32 110.975 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.6 -44.56 96.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.761 0.824 . . . . 75.41 111.361 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.13 76.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.831 0.852 . . . . 53.41 112.162 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.04 -6.96 40.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.61 0.764 . . . . 75.41 112.186 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.8 m80 61.81 58.57 1.93 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.759 1.224 . . . . 75.44 112.078 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 65' ' ' ILE . 23.8 mm -87.71 120.11 70.85 Favored Pre-proline 0 CA--C 1.559 1.317 0 CA-C-N 115.401 -0.818 . . . . 54.31 109.589 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.65 -37.42 91.19 Favored 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 123.248 2.632 . . . . 73.43 114.092 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -101.64 139.54 20.46 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 123.881 0.872 . . . . 71.22 111.064 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.08 164.23 25.88 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.079 2.519 . . . . 55.54 113.118 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.517 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -60.74 -32.27 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.68 0.792 . . . . 71.55 111.437 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -52.97 -41.75 64.86 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 123.738 0.815 . . . . 70.24 111.554 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 mmpt? -73.97 -33.44 63.87 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.327 0.862 . . . . 71.02 113.327 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 37' ' ' VAL . 3.5 mp -58.56 -40.46 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 119.071 0.85 . . . . 73.25 110.172 173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.57 -38.11 25.5 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 C-N-CA 123.67 0.788 . . . . 74.3 112.316 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -77.95 -40.46 39.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 112.956 0.725 . . . . 63.32 112.956 -173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.2 135.5 96.2 Favored Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 112.517 0.562 . . . . 73.44 112.517 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -70.76 150.72 62.55 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 123.285 2.657 . . . . 75.0 113.037 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.01 -53.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 114.084 1.142 . . . . 63.42 114.084 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 t -62.18 -54.45 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 111.822 0.304 . . . . 72.22 111.822 -174.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.69 -34.13 76.5 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.67 0.788 . . . . 75.31 111.615 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.69 -40.07 76.57 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 115.26 -0.882 . . . . 63.34 111.746 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.95 -35.33 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.925 0.49 . . . . 61.45 111.133 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 46' ' ' VAL . 30.2 mm-40 -65.76 -31.97 73.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.199 0.599 . . . . 55.11 111.763 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.8 ttm -67.96 -44.53 76.51 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.978 0.511 . . . . 74.01 110.877 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.85 -29.55 64.51 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.827 0.451 . . . . 72.43 112.091 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 t -70.02 -55.49 9.41 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.533 0.733 . . . . 34.11 111.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -74.94 -51.37 13.92 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.905 -1.043 . . . . 72.43 110.098 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.12 81.44 8.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.651 -0.87 . . . . 63.12 108.651 170.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.52 120.32 13.77 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.911 -0.586 . . . . 74.03 112.071 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 68.6 m-85 -98.52 162.7 13.01 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.579 0.751 . . . . 73.45 111.213 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -69.76 161.74 29.2 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.131 0.572 . . . . 72.32 111.315 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.47 -35.07 71.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.101 0.56 . . . . 75.41 112.199 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.6 76.42 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.786 0.834 . . . . 73.23 111.667 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 48.1 mt-30 -61.57 -51.08 70.04 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.279 0.631 . . . . 75.41 111.591 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 66' ' ' ARG . 99.1 mt -62.71 -28.16 69.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.197 0.999 . . . . 71.23 112.974 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.05 85.17 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.123 0.569 . . . . 72.15 112.258 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.5 tp -76.36 -53.89 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.029 0.531 . . . . 70.42 110.96 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 33' ' ' ILE . 79.9 mt -52.83 -54.49 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.647 1.179 . . . . 74.24 112.478 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD3' ' HB3' ' A' ' 62' ' ' LEU . 11.3 mtp180 -69.76 -35.46 74.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.081 0.952 . . . . 74.53 112.863 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.65 -34.93 70.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.153 0.581 . . . . 55.02 112.455 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG21 HG13 ' A' ' 37' ' ' VAL . 62.3 mt -70.42 -30.02 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.714 0.406 . . . . 63.04 110.178 171.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -72.41 -29.51 63.79 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.318 0.647 . . . . 72.45 111.711 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 39.1 mmt180 -63.96 -44.38 92.94 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.876 0.47 . . . . 74.12 111.614 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 . . . . . 0 N--CA 1.485 1.308 0 C-N-CA 123.092 0.557 . . . . 71.13 111.28 176.478 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 114.272 1.212 . . . . 72.22 114.272 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 69.7 p -76.97 166.96 22.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.704 -1.134 . . . . 75.3 109.954 166.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.36 -23.24 67.22 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.482 0.313 . . . . 74.41 111.063 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.49 -35.12 79.95 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 123.278 0.631 . . . . 60.41 111.667 170.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 37' ' ' VAL . 35.3 mt-10 -76.38 -34.86 58.87 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.623 0.369 . . . . 42.35 111.764 173.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 22' ' ' THR . 85.5 mt -66.95 -42.64 84.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.282 0.633 . . . . 70.3 111.892 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -68.02 -30.45 69.69 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.268 0.627 . . . . 75.34 111.257 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -64.65 -31.39 72.59 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.719 0.808 . . . . 64.54 112.529 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.39 -31.65 72.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.259 0.623 . . . . 71.2 111.829 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.86 93.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.723 0.809 . . . . 73.52 112.601 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD12 HD22 ' A' ' 64' ' ' LEU . 82.3 mt -100.25 -2.03 34.83 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.459 0.704 . . . . 45.42 112.665 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 60.17 60.98 1.93 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.045 0.938 . . . . 73.44 111.734 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.14 122.88 85.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 122.891 0.476 . . . . 75.14 111.052 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -80.64 1.29 9.41 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.155 2.57 . . . . 64.32 114.896 -174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -114.61 155.43 46.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 C-N-CA 123.109 0.563 . . . . 74.12 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.05 131.61 44.5 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.015 1.81 . . . . 72.32 111.114 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 25' ' ' GLU . 79.7 t -62.22 -35.34 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.177 0.591 . . . . 62.42 111.512 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.24 -49.41 69.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.598 0.759 . . . . 70.11 111.288 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.11 -34.0 72.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.773 0.829 . . . . 70.31 111.841 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.86 -39.75 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 C-N-CA 122.917 0.487 . . . . 54.02 111.32 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.15 -29.32 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 123.062 0.545 . . . . 64.34 111.004 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.18 -39.94 18.76 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.506 0.722 . . . . 72.25 112.531 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.0 126.6 81.78 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 122.896 0.478 . . . . 65.14 111.24 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -62.92 149.71 90.68 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.661 2.241 . . . . 72.0 111.697 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.57 -43.28 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 123.41 0.684 . . . . 73.14 111.816 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.98 -45.64 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.512 0.725 . . . . 72.24 112.463 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -73.1 -33.8 65.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.395 0.678 . . . . 71.13 111.391 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.76 -35.14 80.11 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.842 0.857 . . . . 71.3 110.696 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.2 -28.32 69.67 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.358 1.063 . . . . 73.13 112.966 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.32 -43.19 78.11 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.258 0.552 . . . . 71.21 110.708 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.0 ttp -66.82 -34.48 77.91 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 70.3 110.997 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.1 -30.81 66.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.719 1.208 . . . . 71.03 111.593 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 t -65.29 -29.69 70.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.088 0.555 . . . . 72.52 111.131 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -85.83 -49.63 7.75 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.749 0.819 . . . . 75.35 109.594 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 101.91 12.73 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.998 0.919 . . . . 71.21 110.017 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -68.97 112.38 5.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.838 0.455 . . . . 75.11 112.169 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.47 148.51 25.43 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.479 0.712 . . . . 74.41 109.989 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -72.13 168.4 18.25 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.989 0.516 . . . . 54.45 111.967 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -48.02 82.41 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.89 1.07 . . . . 74.52 113.89 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.62 -29.45 56.49 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.097 0.559 . . . . 60.13 111.423 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -61.52 -42.11 98.32 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.804 0.842 . . . . 72.23 110.541 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.26 -33.25 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.001 0.92 . . . . 73.04 111.85 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.38 93.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.246 0.618 . . . . 75.35 111.788 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 28' ' ' ALA . 45.0 tp -69.06 -47.37 65.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.145 0.578 . . . . 74.32 111.764 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.9 -47.38 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.198 0.599 . . . . 74.34 110.69 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -66.35 -33.49 75.84 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.634 1.174 . . . . 73.01 111.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -44.09 72.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.341 0.656 . . . . 73.54 110.396 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 37' ' ' VAL . 84.1 mt -65.88 -34.47 70.49 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 124.35 1.06 . . . . 73.31 111.387 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.07 -38.32 88.35 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.927 0.891 . . . . 65.43 111.205 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -79.43 -22.48 44.15 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.528 0.731 . . . . 63.2 112.525 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 122.824 0.45 . . . . 54.34 110.199 174.811 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.332 0.587 . . . . 72.42 111.399 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 p -74.19 178.5 5.05 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.464 1.105 . . . . 75.15 112.144 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -42.23 62.65 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.824 0.85 . . . . 74.33 111.821 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.9 m-20 -70.55 -38.46 74.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.661 0.784 . . . . 53.33 112.361 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.03 -33.04 73.62 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.126 0.57 . . . . 65.42 111.305 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -74.93 -30.0 61.12 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.295 0.638 . . . . 73.03 111.918 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 79.0 mtp180 -66.75 -45.47 78.48 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.311 0.644 . . . . 65.3 110.418 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.81 98.58 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.06 0.944 . . . . 71.54 111.301 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -56.83 -49.26 75.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.11 0.964 . . . . 65.14 111.912 173.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.65 88.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.855 0.862 . . . . 63.32 112.832 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.91 -4.0 33.9 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.402 0.519 . . . . 70.23 112.402 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 65.32 60.55 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.489 1.116 . . . . 60.02 112.599 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 35' ' ' PHE . 42.4 mm -80.0 129.04 71.74 Favored Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 123.449 0.7 . . . . 71.14 109.495 173.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.78 -10.59 26.66 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.536 2.157 . . . . 63.0 114.022 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.503 ' H ' HG22 ' A' ' 33' ' ' ILE . 49.4 m-85 -108.16 155.72 39.66 Favored Pre-proline 0 N--CA 1.485 1.322 0 C-N-CA 123.702 0.801 . . . . 44.01 110.995 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.87 153.62 58.54 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.833 1.689 . . . . 74.41 110.928 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 68' ' ' ILE . 46.2 t -57.57 -29.14 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 123.735 0.814 . . . . 73.21 112.848 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -49.29 -46.39 46.43 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.395 1.078 . . . . 73.11 112.021 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -41.64 93.03 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.244 0.617 . . . . 70.01 112.271 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.401 ' HA ' ' HE2' ' A' ' 48' ' ' PHE . 2.4 mp -73.67 -29.86 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.525 0 C-N-CA 122.768 0.427 . . . . 74.31 110.594 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.43 -46.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 123.418 0.687 . . . . 72.21 111.787 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -82.16 -53.09 6.36 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.392 0.677 . . . . 65.15 112.047 -170.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.43 120.02 40.98 Favored Pre-proline 0 N--CA 1.493 1.68 0 C-N-CA 122.973 0.509 . . . . 72.41 111.562 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.83 160.42 48.44 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.539 2.159 . . . . 62.04 112.844 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.03 -38.52 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.618 0.767 . . . . 75.34 112.726 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.58 -49.67 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 123.08 0.552 . . . . 74.12 111.635 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.53 -34.73 78.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.574 0.75 . . . . 73.31 111.638 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -72.85 -34.36 66.73 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.988 -0.551 . . . . 70.01 111.812 -175.4 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.08 -40.46 95.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.071 0.549 . . . . 64.43 110.991 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.54 -35.95 70.82 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.766 0.826 . . . . 74.04 111.528 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 tpp -66.69 -39.13 87.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.604 0.762 . . . . 62.41 111.169 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.4 ttp -71.65 -29.71 64.93 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.006 1.323 . . . . 72.32 111.251 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -63.74 -32.61 74.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.504 0.722 . . . . 65.05 111.72 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.36 -53.94 5.62 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.343 0.657 . . . . 64.33 110.967 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.69 87.66 4.76 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 70.42 109.255 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.99 95.81 0.98 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.425 0.69 . . . . 73.32 111.248 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -78.04 162.38 26.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.583 0.753 . . . . 74.23 112.027 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -84.01 159.99 21.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.69 0.796 . . . . 63.11 110.937 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.42 -38.15 58.39 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 114.301 1.223 . . . . 64.32 114.301 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.25 66.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.254 0.621 . . . . 75.55 111.534 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.21 -38.86 80.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.648 0.779 . . . . 62.33 111.585 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -37.04 81.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.654 0.782 . . . . 74.03 111.917 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.26 93.31 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.111 0.564 . . . . 64.43 111.747 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.77 -54.38 23.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.283 0.633 . . . . 73.51 111.926 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.9 mt -58.92 -38.64 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.961 0.904 . . . . 75.02 111.696 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -61.83 -41.97 98.45 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.578 0.751 . . . . 71.55 111.394 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.2 -55.31 22.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.41 0.684 . . . . 63.22 111.522 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.623 HG21 HG13 ' A' ' 37' ' ' VAL . 76.1 mt -67.17 -36.23 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.817 0.847 . . . . 64.15 112.18 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -63.93 -45.2 90.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.321 0.648 . . . . 75.33 110.71 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -71.5 -22.48 61.79 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 115.631 -0.713 . . . . 63.55 111.432 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 . . . . . 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 72.2 110.696 176.402 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 121.078 0.466 . . . . 73.2 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.0 p -75.97 178.54 6.19 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.051 0.94 . . . . 40.34 112.616 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.72 -39.96 82.34 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.466 0.65 . . . . 71.11 110.775 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.55 -29.94 67.63 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.382 -0.826 . . . . 74.34 112.311 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.64 -26.8 68.81 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 122.885 0.474 . . . . 62.31 112.033 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.41 -51.33 37.47 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 122.875 0.47 . . . . 61.32 111.146 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -73.57 -30.75 63.23 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.639 0.776 . . . . 75.01 112.131 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -69.85 -49.03 56.43 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.601 0.76 . . . . 71.04 111.049 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 2.8 ttmp? -68.47 -24.04 64.65 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.891 0.876 . . . . 70.24 111.281 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -44.45 68.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.495 0.718 . . . . 71.23 111.786 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD12 HD22 ' A' ' 64' ' ' LEU . 62.7 mt -83.52 -4.38 58.48 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 123.197 0.599 . . . . 73.22 111.949 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.13 58.75 0.55 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.19 1.396 . . . . 72.04 112.456 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' PHE . 36.6 mm -70.04 123.72 89.31 Favored Pre-proline 0 CA--C 1.565 1.533 0 C-N-CA 123.325 0.65 . . . . 63.1 109.559 170.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.72 -16.41 37.1 Favored 'Trans proline' 0 N--CA 1.506 2.24 0 C-N-CA 123.529 2.819 . . . . 74.13 114.839 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' ILE . 88.9 m-85 -115.43 164.86 15.8 Favored Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.156 0.983 . . . . 72.14 111.49 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.07 157.36 53.72 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.332 2.021 . . . . 75.12 111.983 160.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.38 -48.88 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 124.152 0.981 . . . . 73.32 112.916 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 47.2 tt0 -68.97 -17.16 63.9 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 112.525 0.565 . . . . 73.34 112.525 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.44 -38.31 87.11 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.903 0.481 . . . . 60.0 110.059 173.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' HG3' ' A' ' 69' ' ' ARG . 2.4 mp -73.01 -42.97 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.893 0.877 . . . . 74.2 110.044 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.2 mt -60.77 -41.85 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.818 0.847 . . . . 70.51 112.223 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -40.42 61.09 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 74.01 110.131 -169.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -73.21 115.56 42.07 Favored Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 123.453 0.701 . . . . 62.24 111.068 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.75 156.29 33.38 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.983 2.455 . . . . 74.34 112.116 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 78.2 t -56.77 -41.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 53.04 112.988 -171.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.12 -45.24 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.024 0.53 . . . . 64.42 111.294 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.05 -39.71 78.98 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.96 0.904 . . . . 71.22 112.349 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.71 -39.61 61.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 71.23 111.261 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 7.1 m-20 -69.52 -27.24 65.01 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 71.21 111.769 176.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.5 -46.02 84.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.373 0.669 . . . . 23.53 110.332 169.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.1 ttm -64.79 -46.13 83.37 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.562 0.745 . . . . 73.53 111.132 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.492 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 1.5 tmt? -63.47 -27.0 68.98 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.571 1.148 . . . . 75.31 112.652 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -62.8 -24.37 67.71 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.428 0.529 . . . . 74.41 112.428 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -111.52 -52.94 2.75 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.263 0.625 . . . . 63.33 110.441 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -91.02 77.5 6.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.641 0.776 . . . . 62.13 110.095 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -78.99 135.15 36.83 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.803 -0.635 . . . . 74.0 111.014 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -92.2 173.18 7.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.46 0.704 . . . . 75.31 109.985 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -70.22 155.21 40.96 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.479 0.312 . . . . 61.21 110.376 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.41 71.09 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.708 1.003 . . . . 65.31 113.708 -171.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.08 60.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.362 0.665 . . . . 73.43 111.752 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -62.84 -40.08 96.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.675 . . . . 72.21 111.329 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.37 -43.56 90.38 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.614 0.766 . . . . 73.22 111.422 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.7 87.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.684 0.794 . . . . 74.23 111.458 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 HD12 ' A' ' 31' ' ' LEU . 36.6 tp -65.25 -44.9 86.66 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.527 -0.76 . . . . 73.4 112.207 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 HG12 ' A' ' 40' ' ' ILE . 19.3 mt -57.77 -46.65 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.602 1.161 . . . . 60.11 112.574 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -64.17 -37.2 86.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.053 -0.522 . . . . 72.11 110.941 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.1 -43.86 94.08 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.283 0.633 . . . . 71.35 111.273 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -40.31 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 124.435 1.094 . . . . 60.24 111.548 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' NH1' ' HA ' ' A' ' 45' ' ' VAL . 85.8 mtm180 -72.95 -29.36 63.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.267 0.627 . . . . 74.44 112.393 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.59 -35.62 81.34 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.274 0.63 . . . . 61.44 111.266 171.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 C-N-CA 123.267 0.627 . . . . 72.22 110.558 172.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 CA--C 1.561 1.385 0 N-CA-C 115.023 1.49 . . . . 71.24 115.023 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -71.33 173.04 8.32 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 115.277 -0.874 . . . . 74.03 110.553 165.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -66.1 -23.78 66.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 122.083 -0.386 . . . . 74.1 112.036 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.88 -40.51 75.65 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.112 0.565 . . . . 62.51 111.058 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 34.5 mt-10 -72.0 -33.95 68.5 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.703 0.801 . . . . 71.45 112.744 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.86 -46.63 88.61 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.998 0.519 . . . . 74.45 111.846 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -73.73 -29.34 62.19 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.159 0.584 . . . . 75.22 112.036 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.44 91.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.592 0.357 . . . . 65.12 111.4 172.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 32.0 mmmt -70.63 -38.05 73.87 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.998 0.519 . . . . 72.44 111.105 176.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.522 0.729 . . . . 73.14 112.37 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 64' ' ' LEU . 85.8 mt -96.05 -0.55 50.26 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 113.149 0.796 . . . . 51.14 113.149 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.55 58.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.964 0.906 . . . . 71.05 112.459 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -79.4 114.41 44.93 Favored Pre-proline 0 CA--C 1.562 1.428 0 N-CA-C 109.13 -0.692 . . . . 74.31 109.13 170.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 -19.29 27.36 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.76 2.307 . . . . 44.12 114.135 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -93.75 159.78 34.0 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.604 0.762 . . . . 75.2 111.452 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.85 154.34 66.97 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.162 1.908 . . . . 73.53 111.066 161.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.88 -30.98 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 123.199 0.599 . . . . 63.55 111.483 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.66 -35.75 77.0 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.23 1.012 . . . . 71.21 111.777 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -61.39 -50.49 72.64 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.765 0.426 . . . . 73.13 111.48 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.94 -38.98 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.048 0.539 . . . . 60.42 110.562 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.31 -53.44 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 123.338 0.655 . . . . 75.43 111.152 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.94 -5.07 49.95 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.627 0.973 . . . . 73.2 113.627 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -112.99 95.65 35.18 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 123.206 0.602 . . . . 71.35 110.422 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.699 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 52.9 Cg_exo -57.11 153.72 37.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.445 2.096 . . . . 65.42 111.392 168.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -47.68 -41.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 C-N-CA 124.079 0.951 . . . . 71.21 113.472 -170.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.47 -42.24 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 123.313 0.645 . . . . 72.24 111.557 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.37 -30.22 61.88 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.986 0.914 . . . . 65.1 111.836 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -72.39 -34.4 67.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.946 0.899 . . . . 71.15 109.776 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 5.2 m-20 -62.62 -27.13 69.0 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.811 0.844 . . . . 73.11 112.563 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.49 -47.71 81.18 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.177 0.513 . . . . 73.54 110.554 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.6 tpt -69.45 -44.3 71.55 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.313 0.645 . . . . 74.32 111.451 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.552 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 23.7 ttt -65.75 -36.84 84.7 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 124.282 1.033 . . . . 70.23 113.169 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -58.25 -24.62 59.94 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.718 1.006 . . . . 65.44 113.718 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.09 -41.38 25.68 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 113.139 0.792 . . . . 72.4 113.139 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -132.16 -36.05 1.17 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 113.04 0.755 . . . . 75.14 113.04 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.04 172.79 0.23 Allowed 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 125.143 1.377 . . . . 75.01 113.286 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -127.55 171.29 11.75 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.381 1.072 . . . . 73.42 109.739 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.65 153.53 42.75 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 122.93 0.492 . . . . 60.22 110.954 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.93 -28.15 69.33 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.342 0.868 . . . . 75.11 113.342 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -71.4 -39.71 70.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.9 0.48 . . . . 45.11 111.424 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -63.14 -54.49 36.93 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.414 0.686 . . . . 74.44 110.879 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.99 -38.04 64.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.458 1.103 . . . . 62.24 112.748 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.94 -56.47 18.82 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 53.12 111.218 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.595 HD22 HD12 ' A' ' 31' ' ' LEU . 47.9 tp -60.73 -39.25 87.96 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.472 0.709 . . . . 74.43 112.9 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.43 -37.56 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.089 0.956 . . . . 62.15 111.28 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.99 -39.51 83.25 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.737 0.415 . . . . 73.13 111.854 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.93 -49.32 75.22 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.238 0.615 . . . . 75.45 111.654 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.46 -37.48 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.599 0.759 . . . . 62.52 111.668 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -72.06 -35.06 69.19 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.354 0.662 . . . . 71.23 110.768 178.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -71.37 -32.78 68.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.938 0.895 . . . . 72.15 111.321 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 CA--C 1.558 1.279 0 C-N-CA 123.737 0.815 . . . . 74.12 109.611 175.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 113.409 0.892 . . . . 75.23 113.409 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.552 HG22 ' HG2' ' A' ' 25' ' ' GLU . 15.4 t -81.52 178.25 8.47 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.872 0.469 . . . . 64.01 111.131 172.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 26' ' ' LEU . 89.4 mtt180 -56.79 -36.1 69.49 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.41 0.624 . . . . 63.15 111.4 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.2 m-20 -69.48 -37.51 77.3 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.037 -0.983 . . . . 70.13 112.307 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG2' HG22 ' A' ' 22' ' ' THR . 65.7 mm-40 -66.12 -31.73 72.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 122.148 -0.345 . . . . 71.34 111.439 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' ARG . 82.0 mt -65.13 -50.54 65.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.575 0.75 . . . . 72.01 111.623 177.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.51 -30.39 68.23 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.164 0.586 . . . . 63.32 111.881 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.21 0.604 . . . . 72.25 111.405 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.66 -41.51 92.44 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.188 0.595 . . . . 65.5 111.069 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.89 94.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.739 0.816 . . . . 72.15 112.507 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 64' ' ' LEU . 93.5 mt -90.35 -11.96 39.09 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.086 0.554 . . . . 65.43 112.172 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m80 69.22 58.89 0.34 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.97 1.308 . . . . 52.55 113.015 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 12.9 mm -78.06 126.65 83.38 Favored Pre-proline 0 CA--C 1.567 1.631 0 N-CA-C 109.637 -0.505 . . . . 61.24 109.637 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -56.06 -20.9 32.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.525 2.817 . . . . 70.2 115.406 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -128.3 147.24 62.83 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 123.828 0.851 . . . . 74.34 110.804 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.9 162.37 42.39 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.708 2.272 . . . . 61.14 112.69 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 24' ' ' ASP . 88.2 t -61.53 -31.8 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.624 0.77 . . . . 70.54 112.37 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.59 -47.22 49.57 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.878 0.471 . . . . 74.24 110.862 168.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -69.11 -36.61 77.71 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 113.261 0.837 . . . . 75.13 113.261 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 33' ' ' ILE . 3.5 mp -59.14 -34.51 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 CA-C-N 119.022 0.828 . . . . 74.22 110.998 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -83.72 -46.13 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.369 0 C-N-CA 123.124 0.57 . . . . 73.22 111.713 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -76.81 -39.17 52.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.544 0.737 . . . . 62.13 112.647 -166.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.92 110.85 3.33 Favored Pre-proline 0 CA--C 1.56 1.35 0 C-N-CA 123.35 0.66 . . . . 74.12 110.788 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.42 157.84 48.4 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.912 2.408 . . . . 64.43 113.169 -175.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.14 -49.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.827 1.251 . . . . 74.33 114.124 -169.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.62 -58.65 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.496 0.318 . . . . 73.11 111.603 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.87 -35.7 71.33 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.907 0.883 . . . . 72.45 112.847 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.31 -56.23 5.12 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.646 1.178 . . . . 74.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.56 -29.49 65.95 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.848 0.685 . . . . 74.01 112.848 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -25.82 60.73 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.067 0.547 . . . . 74.5 112.086 173.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -74.29 -42.79 58.95 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.6 0.714 . . . . 62.51 110.489 172.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 65' ' ' ILE . 50.7 mtm -78.19 -8.7 58.63 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 113.861 1.06 . . . . 64.53 113.861 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -53.29 -42.08 66.25 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 114.783 1.401 . . . . 74.04 114.783 -167.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.12 -32.31 70.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.169 0.587 . . . . 73.33 112.012 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.94 82.67 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.345 1.458 . . . . 73.24 112.916 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.64 9.18 30.74 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.445 0.698 . . . . 62.13 110.877 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.61 166.46 15.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.39 1.076 . . . . 74.24 111.183 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -95.13 169.38 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.257 0.623 . . . . 42.31 111.195 172.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -39.32 66.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.935 0.894 . . . . 64.51 113.185 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.33 -34.39 61.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.524 0.73 . . . . 73.42 111.711 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.54 -47.44 75.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.437 0.695 . . . . 74.02 111.482 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.1 -48.79 80.32 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.201 0.6 . . . . 60.34 110.89 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.14 71.22 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.537 0.735 . . . . 42.34 112.453 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 31' ' ' LEU . 28.9 tp -66.93 -42.05 86.01 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.91 0.484 . . . . 71.34 111.985 177.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.544 HD13 ' SD ' ' A' ' 52' ' ' MET . 88.0 mt -54.28 -48.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.844 0.858 . . . . 72.02 111.806 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.8 -36.01 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.27 0.628 . . . . 74.22 111.102 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.23 -43.99 95.58 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.411 1.084 . . . . 75.13 111.494 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.479 HD13 HG13 ' A' ' 37' ' ' VAL . 70.9 mt -68.51 -44.91 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.87 0.868 . . . . 74.12 111.16 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -56.16 -27.08 52.97 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.493 1.117 . . . . 72.25 113.908 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -57.43 -43.87 84.19 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 122.543 0.337 . . . . 64.13 111.587 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 C-N-CA 123.134 0.574 . . . . 72.23 111.232 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 122.433 1.111 . . . . 74.33 110.724 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.8 p -80.75 179.02 8.0 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 113.756 -1.565 . . . . 54.32 109.759 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -51.37 -42.7 61.52 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.529 0.937 . . . . 75.15 113.529 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.26 -44.94 88.59 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.437 0.637 . . . . 62.41 111.58 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.24 -29.24 62.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.424 1.09 . . . . 54.21 112.249 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 22' ' ' THR . 84.6 mt -71.39 -34.94 70.84 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.516 0.727 . . . . 52.43 110.81 177.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -71.57 -40.6 69.84 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.785 0.834 . . . . 73.54 110.6 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.14 98.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.451 0.7 . . . . 62.04 111.068 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.59 -33.3 73.81 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.047 0.539 . . . . 74.23 111.167 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.99 97.83 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.704 0.801 . . . . 74.55 112.448 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -103.49 11.03 36.88 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.199 0.6 . . . . 74.53 112.482 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 57.57 55.73 5.43 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.707 1.203 . . . . 74.32 112.882 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.69 120.59 80.62 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.094 0.558 . . . . 72.15 109.697 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.94 -23.6 29.79 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.541 2.16 . . . . 72.44 113.141 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.0 152.32 55.99 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 123.37 0.668 . . . . 72.44 110.761 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.41 165.33 32.99 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 121.704 1.603 . . . . 75.32 111.373 163.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 68' ' ' ILE . 59.1 t -60.94 -37.46 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.267 0.627 . . . . 73.23 110.709 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.23 -48.78 80.33 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 124.583 1.153 . . . . 72.05 111.202 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE3' HD11 ' A' ' 43' ' ' LEU . 60.3 tptt -54.99 -54.99 35.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.225 1.01 . . . . 74.33 112.671 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 65' ' ' ILE . 92.3 mt -59.35 -36.99 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.792 0.837 . . . . 70.43 112.207 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.61 -46.37 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 122.793 0.437 . . . . 63.31 111.427 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -76.03 -15.62 60.1 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.786 0.661 . . . . 71.22 112.786 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD11 ' HE3' ' A' ' 39' ' ' LYS . 75.5 mt -79.54 115.81 56.14 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 122.923 0.489 . . . . 65.04 111.27 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.8 156.94 63.71 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 122.927 2.418 . . . . 60.32 112.051 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.82 -47.64 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.752 0.821 . . . . 64.01 113.033 -169.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -46.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 122.804 0.442 . . . . 73.31 111.763 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 -42.28 98.71 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.921 0.888 . . . . 73.21 111.707 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.74 -36.02 65.12 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.184 -0.916 . . . . 73.04 112.119 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -67.0 -39.52 87.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.13 0.572 . . . . 71.33 110.649 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' HE3' ' A' ' 54' ' ' LYS . 33.4 tt0 -64.64 -39.49 93.8 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.024 -0.534 . . . . 71.43 110.322 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.66 -45.61 89.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.793 0.837 . . . . 51.54 112.134 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -75.18 -16.96 60.47 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 112.253 0.464 . . . . 62.21 112.253 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.6 m -82.21 -16.45 49.61 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.75 0.42 . . . . 73.34 111.825 173.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' HE3' ' HG2' ' A' ' 50' ' ' GLU . 94.9 mttt -92.05 -48.38 6.77 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.575 0.75 . . . . 74.15 110.18 172.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -128.4 97.17 4.64 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.476 1.11 . . . . 73.42 109.252 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.8 156.07 19.17 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.564 0.579 . . . . 73.54 112.564 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -126.17 177.05 6.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.665 0.786 . . . . 75.13 110.578 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.482 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 24.9 t-20 -69.76 155.45 40.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.308 0.643 . . . . 74.2 111.614 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.92 -38.95 83.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.907 0.883 . . . . 62.42 112.704 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.23 80.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.377 0.671 . . . . 61.23 111.617 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 45.3 mt-30 -64.58 -49.98 69.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.96 0.504 . . . . 65.43 110.797 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 88.6 mt -61.79 -32.95 73.27 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.914 0.885 . . . . 75.24 111.779 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.37 88.29 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.279 0.632 . . . . 73.54 111.634 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.8 -45.21 94.85 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.164 0.586 . . . . 64.41 111.594 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 40' ' ' ILE . 62.3 mt -54.12 -42.1 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.42 1.088 . . . . 75.52 112.301 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 61.4 mtt180 -58.04 -42.45 85.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.254 0.622 . . . . 54.23 111.075 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.46 -39.77 85.35 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.036 0.535 . . . . 62.12 111.136 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 HG13 ' A' ' 37' ' ' VAL . 81.0 mt -61.87 -43.12 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.755 0.822 . . . . 75.2 111.054 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -59.57 -43.42 93.63 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.868 0.867 . . . . 73.23 111.634 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.85 -22.21 56.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.719 0.808 . . . . 75.21 112.08 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 N--CA 1.489 1.491 0 C-N-CA 124.104 0.962 . . . . 75.41 111.154 177.808 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 CA--C 1.556 1.183 0 CA-C-O 121.386 0.612 . . . . 65.2 111.667 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 p -83.59 176.03 9.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 63.4 110.8 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.84 -27.18 67.89 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 122.915 0.486 . . . . 71.23 112.234 175.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.9 m-20 -73.36 -47.67 40.39 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.647 0.779 . . . . 45.13 110.651 173.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.13 -33.33 73.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.918 0.487 . . . . 44.45 111.707 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.09 72.93 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.353 0.661 . . . . 45.24 112.348 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.2 ptp180 -72.4 -33.5 67.21 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.864 0.302 . . . . 62.02 110.628 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.64 78.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.367 0.667 . . . . 54.11 110.827 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -59.68 -32.03 70.11 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.531 1.132 . . . . 71.32 112.127 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.66 92.27 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.555 0.742 . . . . 54.2 112.451 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.97 9.6 42.36 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.959 0.504 . . . . 72.15 112.28 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.69 49.37 3.0 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.993 0.917 . . . . 61.21 112.752 168.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 35' ' ' PHE . 38.7 mm -70.58 123.2 88.65 Favored Pre-proline 0 CA--C 1.564 1.482 0 C-N-CA 123.188 0.595 . . . . 72.34 110.112 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.29 -9.43 10.6 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.511 2.807 . . . . 60.42 115.373 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' H ' HG22 ' A' ' 33' ' ' ILE . 64.8 m-85 -124.34 155.43 68.49 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.992 0.917 . . . . 71.54 111.364 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.22 161.85 41.13 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.768 2.312 . . . . 51.33 113.102 168.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 68' ' ' ILE . 33.9 t -64.6 -42.84 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 123.404 0.682 . . . . 62.12 110.993 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -47.3 -37.24 10.46 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.632 1.173 . . . . 73.13 112.081 171.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.64 -55.33 13.71 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.314 0.646 . . . . 71.55 112.362 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.39 -37.83 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 C-N-CA 123.114 0.566 . . . . 72.22 111.703 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.82 -39.86 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.126 0.571 . . . . 75.21 112.287 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -90.97 -4.25 56.62 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.383 0.512 . . . . 65.5 112.383 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.25 112.4 47.64 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.422 0.689 . . . . 73.51 110.508 168.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.82 154.87 73.07 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.649 2.233 . . . . 74.14 111.831 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.79 -48.16 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 C-N-CA 123.72 0.808 . . . . 53.12 113.091 -170.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.65 -39.47 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.333 0 C-N-CA 123.008 0.523 . . . . 55.14 111.973 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.75 -37.19 59.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.511 0.725 . . . . 72.15 112.153 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -72.79 -42.39 63.95 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.728 -0.214 . . . . 74.34 110.959 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -65.18 -28.45 69.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.237 0.615 . . . . 71.53 111.413 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -63.78 -49.21 73.83 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.491 0.716 . . . . 75.44 109.509 170.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -63.16 -40.53 97.82 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.926 1.29 . . . . 64.2 111.849 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -75.7 -29.94 59.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.346 1.459 . . . . 75.34 111.391 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 t -76.52 -33.71 58.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.332 0.653 . . . . 74.54 111.361 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -68.36 -53.63 22.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.769 0.828 . . . . 72.23 111.649 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -117.54 93.38 4.14 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.966 0.906 . . . . 73.42 109.006 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.79 124.74 28.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.995 -1.002 . . . . 72.15 112.461 -170.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -87.54 170.74 11.06 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.868 0.867 . . . . 71.2 110.85 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -72.66 154.1 40.89 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.023 0.529 . . . . 62.21 110.511 172.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.95 -32.15 73.48 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.078 0.77 . . . . 61.05 113.078 -173.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.9 86.96 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.361 0.664 . . . . 63.12 111.201 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.59 -43.37 98.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 115.764 -0.653 . . . . 64.41 110.873 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.33 -46.28 90.45 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.613 0.765 . . . . 62.53 111.865 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.36 73.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.767 0.827 . . . . 73.51 112.101 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 tp -69.14 -47.87 63.88 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.876 -0.602 . . . . 74.31 112.205 175.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.86 -32.82 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.499 0.719 . . . . 65.14 111.469 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.69 -46.5 88.87 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.323 0.649 . . . . 63.11 110.931 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.29 -43.93 92.53 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.317 0.647 . . . . 52.52 111.712 175.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.752 HG23 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -58.79 -46.91 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 124.265 1.026 . . . . 73.3 111.877 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -39.7 68.23 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.501 0.721 . . . . 73.43 110.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -64.86 -30.07 71.05 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.748 0.819 . . . . 72.04 112.603 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 122.921 0.489 . . . . 75.33 111.549 175.796 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 113.792 1.034 . . . . 63.14 113.792 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -80.2 177.52 8.9 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.725 -0.67 . . . . 73.02 109.537 163.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.51 70.94 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.951 -0.468 . . . . 75.5 110.841 176.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.94 -38.95 87.1 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.261 0.625 . . . . 61.52 111.909 173.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.03 -42.86 96.95 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.201 0.601 . . . . 74.12 111.752 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -51.25 68.08 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.163 0.585 . . . . 62.41 111.696 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -68.86 -30.39 68.9 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.139 0.575 . . . . 73.3 111.695 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -52.37 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.953 0.501 . . . . 63.43 111.541 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -68.58 -31.76 71.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.2 111.777 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.98 73.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.664 0.786 . . . . 62.11 111.924 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 64' ' ' LEU . 86.6 mt -97.11 -13.85 21.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.425 0.69 . . . . 55.02 112.087 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 m80 67.24 58.69 0.54 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.481 1.112 . . . . 64.15 112.188 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -68.66 121.2 80.19 Favored Pre-proline 0 CA--C 1.559 1.291 0 N-CA-C 108.54 -0.911 . . . . 72.52 108.54 166.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.01 -27.08 74.01 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.379 2.053 . . . . 71.4 113.515 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HZ ' ' HG2' ' A' ' 51' ' ' MET . 30.6 m-85 -98.0 151.57 37.62 Favored Pre-proline 0 N--CA 1.487 1.392 0 C-N-CA 123.375 0.67 . . . . 72.05 111.106 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.62 153.66 47.66 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.214 1.943 . . . . 72.44 112.244 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.17 -29.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 123.651 0.781 . . . . 30.43 111.584 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.34 -51.69 32.88 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.32 1.048 . . . . 71.31 112.452 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.57 -33.2 75.37 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.713 1.005 . . . . 75.22 113.713 -173.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.29 -29.82 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.596 0 CA-C-O 121.459 0.647 . . . . 71.02 109.788 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.37 -36.74 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.627 0 C-N-CA 124.318 1.047 . . . . 72.42 112.537 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -99.59 -33.83 10.47 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.695 0.998 . . . . 74.33 113.695 -168.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.98 127.73 87.67 Favored Pre-proline 0 N--CA 1.487 1.404 0 CA-C-N 117.94 0.336 . . . . 73.54 110.87 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.56 142.83 96.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.407 2.072 . . . . 40.3 112.523 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.08 -31.53 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 124.872 1.269 . . . . 74.55 113.591 -171.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.85 -49.58 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-O 120.885 0.374 . . . . 73.4 111.331 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.46 -38.09 88.8 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.892 0.877 . . . . 62.22 112.0 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 65' ' ' ILE . 15.6 t80 -73.3 -44.19 59.55 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.045 -0.525 . . . . 71.44 111.386 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.83 -27.47 68.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.147 0.579 . . . . 75.33 111.814 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.13 -46.33 90.99 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.323 0.649 . . . . 73.52 111.706 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.43 ' HG2' ' HZ ' ' A' ' 35' ' ' PHE . 15.4 tpt -56.14 -44.96 79.72 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.372 0.669 . . . . 73.51 111.367 174.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 ttt -64.9 -37.71 88.55 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.366 -0.834 . . . . 71.0 111.787 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -22.56 65.68 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.134 0.574 . . . . 70.01 111.705 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -81.71 -52.08 7.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.597 0.759 . . . . 62.2 110.154 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.43 102.58 4.51 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.838 0.855 . . . . 63.42 110.88 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.01 129.35 37.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.542 0.737 . . . . 73.34 111.253 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.28 -175.67 3.79 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.705 0.802 . . . . 64.15 111.258 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -69.99 157.6 37.19 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.648 0.379 . . . . 75.15 111.147 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.83 -37.91 71.9 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 113.1 0.778 . . . . 73.34 113.1 -174.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.69 64.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.39 0.676 . . . . 62.02 111.844 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.19 -49.97 73.69 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.456 0.702 . . . . 72.15 111.3 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.86 -47.08 83.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.963 0.905 . . . . 73.44 111.951 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.96 75.76 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.4 0.68 . . . . 51.03 111.945 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 HD12 ' A' ' 31' ' ' LEU . 43.1 tp -58.77 -42.23 88.46 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.972 0.73 . . . . 70.54 112.972 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.445 HD13 ' HE1' ' A' ' 48' ' ' PHE . 89.0 mt -52.8 -44.44 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.743 0.817 . . . . 75.32 111.725 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -67.1 -30.08 70.01 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.232 0.613 . . . . 72.24 112.093 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.3 -49.56 18.79 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.85 0.46 . . . . 74.43 111.742 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.02 -35.72 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 63.44 112.433 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -70.84 -26.75 63.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.877 -0.514 . . . . 63.3 111.534 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -66.89 -27.38 67.46 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.462 0.305 . . . . 75.02 111.659 168.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.8 mmt-85 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.075 0.464 . . . . 73.43 110.178 170.486 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.5 mt . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.989 0.423 . . . . 71.23 110.232 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p -74.12 173.49 10.01 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.383 -0.826 . . . . 63.31 110.382 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -55.98 -28.63 57.98 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.447 0.699 . . . . 73.54 112.387 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.38 -44.94 49.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.972 0.909 . . . . 75.51 110.862 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -63.79 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.376 0.671 . . . . 75.12 111.459 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.42 -47.48 76.11 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.741 0.817 . . . . 75.31 112.262 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -70.06 -29.8 66.89 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 122.924 0.489 . . . . 71.12 111.934 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.86 60.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.944 0.498 . . . . 70.32 110.923 173.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.03 -27.64 68.94 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 115.694 -0.685 . . . . 73.53 111.322 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.28 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.661 0.784 . . . . 51.52 111.446 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.637 HD12 HD22 ' A' ' 64' ' ' LEU . 70.9 mt -87.14 12.17 12.21 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.368 0.667 . . . . 60.14 112.141 173.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 63.42 33.99 13.28 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.341 1.056 . . . . 71.51 112.385 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.7 mm -72.97 113.97 26.49 Favored Pre-proline 0 CA--C 1.561 1.386 0 N-CA-C 109.384 -0.598 . . . . 70.03 109.384 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.54 7.32 2.32 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.877 2.385 . . . . 73.41 114.637 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.63 145.74 50.22 Favored Pre-proline 0 N--CA 1.486 1.36 0 C-N-CA 124.303 1.041 . . . . 75.34 110.701 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.87 153.91 74.31 Favored 'Trans proline' 0 C--N 1.387 2.595 0 C-N-CA 122.993 2.462 . . . . 63.42 113.106 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HA ' HD13 ' A' ' 40' ' ' ILE . 55.2 t -51.75 -37.9 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 124.57 1.148 . . . . 44.42 112.578 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.5 tt0 -52.01 -43.06 63.48 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.442 0.697 . . . . 71.03 112.206 175.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' HD11 ' A' ' 43' ' ' LEU . 88.9 tttt -67.4 -41.43 84.96 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.654 0.382 . . . . 74.45 111.751 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 37' ' ' VAL . 4.7 mp -58.46 -45.44 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 122.321 0.248 . . . . 75.04 110.398 174.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 38' ' ' GLU . 93.4 mt -52.22 -41.28 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.898 0.879 . . . . 70.22 111.548 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.26 -41.3 49.38 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.874 0.87 . . . . 73.41 112.577 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' HE2' ' A' ' 39' ' ' LYS . 96.6 mt -69.63 116.09 39.67 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 123.364 0.666 . . . . 45.15 112.145 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.27 167.15 27.06 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.786 2.324 . . . . 73.22 111.626 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.45 -43.04 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 112.864 0.69 . . . . 70.51 112.864 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.18 -51.23 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 122.674 0.389 . . . . 63.12 111.498 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.79 -36.11 78.18 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.431 0.692 . . . . 62.4 111.873 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 25.9 t80 -72.86 -33.71 66.27 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.816 -0.629 . . . . 72.51 111.558 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.448 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 4.4 m-20 -66.61 -30.1 70.3 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.089 0.555 . . . . 71.01 111.35 177.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -67.42 -39.74 85.48 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.885 0.474 . . . . 75.13 111.009 171.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.7 tpt -60.75 -54.57 43.6 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.19 0.596 . . . . 53.44 111.438 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HG3' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -74.22 -15.89 60.98 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.287 0.477 . . . . 64.55 112.287 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -59.36 -51.67 68.92 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.739 0.78 . . . . 62.44 110.474 172.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -65.44 -47.92 74.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.002 -1.454 . . . . 75.23 111.305 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -146.41 115.73 7.07 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.712 0.805 . . . . 63.41 110.7 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -81.88 144.46 30.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.32 1.048 . . . . 75.22 112.244 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.99 163.44 12.44 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.868 0.867 . . . . 75.11 110.009 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -70.09 153.52 43.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.865 0.466 . . . . 70.35 111.158 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.39 -34.15 74.86 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.924 0.713 . . . . 70.22 112.924 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.04 81.06 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.526 0.731 . . . . 55.32 111.724 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -66.89 -50.53 62.16 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.627 0.771 . . . . 64.32 110.474 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.28 -34.04 73.18 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.018 0.927 . . . . 72.33 112.085 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.58 78.9 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.834 0.854 . . . . 62.22 111.688 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 31' ' ' LEU . 60.8 tp -62.33 -46.21 89.72 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.505 0.722 . . . . 74.02 111.607 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.429 HG23 HG23 ' A' ' 40' ' ' ILE . 98.0 mt -59.01 -43.0 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.716 0.806 . . . . 73.4 112.166 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -62.97 -46.26 88.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.51 110.741 175.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.7 -47.95 80.93 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.231 1.012 . . . . 72.32 111.937 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.421 HD13 HG13 ' A' ' 37' ' ' VAL . 87.1 mt -61.95 -45.16 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.307 1.043 . . . . 71.24 111.569 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.06 -26.71 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.37 0.668 . . . . 74.42 112.334 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.47 -18.82 62.28 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.018 0.747 . . . . 75.21 113.018 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? . . . . . 0 N--CA 1.494 1.734 0 C-N-CA 122.754 0.422 . . . . 74.35 111.16 171.448 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 120.569 0.224 . . . . 73.32 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -66.2 168.01 9.29 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.279 -0.419 . . . . 52.1 110.351 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.41 -20.94 21.99 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.083 0.771 . . . . 72.14 113.083 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.7 m-20 -63.83 -53.97 42.32 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.543 0.737 . . . . 64.3 111.32 172.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -65.4 -27.07 68.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.891 -0.506 . . . . 74.34 112.168 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.67 -40.34 66.36 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.399 0.518 . . . . 74.3 112.399 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 9.0 ptm180 -70.99 -33.23 70.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.465 0.306 . . . . 73.34 110.3 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -63.92 -48.72 75.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.296 0.639 . . . . 62.03 111.075 173.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.37 -26.48 68.77 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.605 1.162 . . . . 63.54 112.415 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.06 94.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.34 0.656 . . . . 70.22 111.657 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HD22 ' A' ' 64' ' ' LEU . 83.4 mt -94.14 10.23 34.64 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.331 0.652 . . . . 75.4 112.356 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.37 36.57 8.96 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.526 1.13 . . . . 74.13 113.184 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 35' ' ' PHE . 49.6 mm -61.95 124.26 81.07 Favored Pre-proline 0 CA--C 1.563 1.453 0 C-N-CA 123.464 0.706 . . . . 53.52 110.051 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.41 -8.65 20.94 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.653 2.235 . . . . 65.3 113.651 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' H ' HG22 ' A' ' 33' ' ' ILE . 40.0 m-85 -112.02 151.08 43.31 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.699 0.799 . . . . 62.32 111.325 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -64.66 161.16 36.81 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.339 2.026 . . . . 62.21 111.941 165.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 68' ' ' ILE . 44.5 t -62.42 -40.51 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.681 0.792 . . . . 73.21 111.544 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.14 -35.7 67.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.252 0.621 . . . . 75.33 112.264 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 43' ' ' LEU . 57.8 tptt -63.26 -45.87 89.49 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.239 0.616 . . . . 74.22 112.0 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.45 -41.4 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.238 0.615 . . . . 75.3 110.61 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.29 -43.0 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.621 0.768 . . . . 73.31 111.803 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -77.15 -21.92 53.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.29 0.636 . . . . 73.42 112.634 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 39' ' ' LYS . 94.6 mt -88.62 108.39 22.6 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-O 119.064 -0.493 . . . . 75.41 110.001 172.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.55 159.83 30.53 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.684 2.256 . . . . 64.13 111.69 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.97 -36.12 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 123.013 0.525 . . . . 64.31 112.207 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.67 -52.86 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-O 121.42 0.629 . . . . 64.44 111.696 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.77 -40.73 75.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.965 0.906 . . . . 62.05 111.795 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -69.09 -34.32 74.92 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.499 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.47 -36.4 78.19 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.777 0.431 . . . . 71.43 111.78 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.02 -48.87 72.36 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.515 0.326 . . . . 74.53 110.888 173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.4 tpt -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.379 0.671 . . . . 63.42 111.795 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.8 ttp -74.88 -29.53 61.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.42 1.088 . . . . 61.13 111.605 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -72.54 -46.5 54.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.688 0.395 . . . . 63.11 111.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -46.15 56.45 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.698 0.399 . . . . 63.15 111.201 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.4 82.89 2.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -69.98 101.63 1.83 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.029 0.532 . . . . 74.21 110.923 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.94 167.51 20.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.105 0.562 . . . . 74.22 110.48 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -74.33 151.64 39.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.509 0.324 . . . . 61.32 111.411 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -39.09 61.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.33 1.052 . . . . 72.4 113.527 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.46 71.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.516 0.726 . . . . 42.13 111.82 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -46.78 87.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.495 0.718 . . . . 64.13 111.252 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -38.09 85.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.909 0.883 . . . . 73.41 112.077 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.53 91.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.558 0.743 . . . . 71.01 111.977 175.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 28' ' ' ALA . 56.4 tp -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.085 0.554 . . . . 75.41 111.96 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.11 -39.55 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.594 0.758 . . . . 74.45 111.613 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.45 -35.6 79.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.608 0.763 . . . . 74.33 111.664 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 6.4 t70 -74.91 -37.35 62.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.798 0.332 . . . . 73.24 111.172 177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 37' ' ' VAL . 45.4 mt -64.45 -34.09 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.167 0 C-N-CA 123.467 0.707 . . . . 74.31 111.129 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.524 0.73 . . . . 74.14 112.757 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 2.1 ptm180 -67.8 -35.21 78.24 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 122.574 0.35 . . . . 54.14 111.619 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 122.983 0.513 . . . . 72.04 111.147 176.743 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 114.134 1.161 . . . . 75.5 114.134 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -76.22 173.56 11.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.913 -1.04 . . . . 64.22 110.498 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -56.71 -38.33 72.17 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.41 0.284 . . . . 75.21 111.008 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.74 -47.72 81.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.703 0.801 . . . . 70.31 112.102 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -67.98 -37.41 81.47 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.401 0.519 . . . . 65.42 112.401 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.38 -42.34 98.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.097 0.559 . . . . 53.34 111.576 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -76.76 -37.51 55.78 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.858 0.863 . . . . 71.03 112.061 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -53.2 19.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.798 0.839 . . . . 63.21 112.081 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.52 -23.77 63.64 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.115 0.566 . . . . 75.44 111.218 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.106 0.563 . . . . 64.05 111.791 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD12 HD22 ' A' ' 64' ' ' LEU . 95.5 mt -84.41 -2.33 56.99 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.367 0.667 . . . . 73.11 112.489 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.9 t60 64.07 57.66 1.26 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.555 1.142 . . . . 73.01 111.778 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -82.19 118.79 73.26 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.51 -0.768 . . . . 75.32 109.262 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.98 -1.1 10.77 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.847 2.365 . . . . 75.33 113.839 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.47 156.09 42.77 Favored Pre-proline 0 N--CA 1.481 1.125 0 C-N-CA 123.792 0.837 . . . . 74.34 111.346 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 165.64 28.37 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.287 1.991 . . . . 74.04 112.354 168.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.36 -36.73 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.316 0.646 . . . . 74.52 111.362 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.82 -40.67 89.21 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.983 0.913 . . . . 74.34 112.549 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -47.23 80.58 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.376 0.51 . . . . 75.41 112.376 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.65 -40.65 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.382 0 C-N-CA 123.112 0.565 . . . . 73.22 110.762 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.86 -47.01 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.847 0.859 . . . . 74.11 112.747 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -82.08 -12.22 58.35 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.264 0.838 . . . . 72.04 113.264 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.79 112.5 32.4 Favored Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 123.028 0.531 . . . . 61.1 111.39 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.48 167.68 23.39 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.897 2.398 . . . . 64.53 112.05 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.81 -47.95 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 123.617 0.767 . . . . 64.45 112.977 -171.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.79 -46.94 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.109 0.48 . . . . 70.14 111.206 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.14 -41.5 96.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.434 1.094 . . . . 73.42 112.039 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 67.7 t80 -73.49 -38.77 65.27 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.64 -0.709 . . . . 73.22 112.146 -175.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -66.81 -38.36 86.33 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.116 0.484 . . . . 75.34 110.603 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.1 -41.69 97.13 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.226 1.01 . . . . 64.43 111.165 171.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 ttt -74.49 -42.33 59.17 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.067 0.766 . . . . 70.4 113.067 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -74.49 -21.53 59.52 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.053 0.39 . . . . 64.24 112.053 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -64.92 -35.56 81.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.224 0.609 . . . . 63.32 111.76 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -98.92 -23.42 15.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.527 0.731 . . . . 71.21 112.057 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -115.93 88.46 2.89 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.816 0.846 . . . . 71.43 109.348 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -81.07 135.53 35.83 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.734 0.414 . . . . 64.51 111.58 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -123.93 171.61 9.57 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.103 0.961 . . . . 75.12 110.158 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.41 159.78 31.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.64 0.376 . . . . 74.44 111.375 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.28 -32.81 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.79 0.663 . . . . 71.43 112.79 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.73 68.2 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.203 0.601 . . . . 31.15 111.335 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -63.03 -48.65 77.81 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.432 0.693 . . . . 64.42 111.012 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.65 -29.79 68.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.652 0.781 . . . . 53.31 112.486 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.15 91.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.089 0.555 . . . . 34.43 111.169 173.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 31' ' ' LEU . 43.3 tp -58.84 -50.46 73.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 115.381 -0.827 . . . . 50.31 111.673 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.509 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 82.3 mt -58.93 -44.2 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.531 0.732 . . . . 72.42 111.844 -176.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.95 -35.77 77.61 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.753 0.421 . . . . 73.14 111.672 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.81 -48.2 69.67 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.585 0.754 . . . . 73.21 111.546 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 122.901 0.48 . . . . 70.21 111.279 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.52 71.42 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.03 0.932 . . . . 71.51 111.109 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -71.24 -27.85 63.76 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.847 0.459 . . . . 72.54 111.435 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 123.435 0.694 . . . . 74.22 111.643 174.713 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.994 0.425 . . . . 43.32 111.63 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -82.7 -179.0 7.29 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.963 0.905 . . . . 63.01 111.725 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -63.27 -41.72 99.06 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.627 0.371 . . . . 63.24 110.318 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.33 -44.7 95.89 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.798 0.839 . . . . 55.3 111.756 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -57.45 -53.31 59.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.535 0.734 . . . . 64.43 112.143 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.72 -41.87 91.84 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 112.724 0.638 . . . . 75.43 112.724 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -76.82 -32.64 57.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.821 0.675 . . . . 74.13 112.821 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.31 65.77 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.847 0.459 . . . . 75.01 111.717 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.86 -24.28 59.72 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.727 0.411 . . . . 72.42 110.764 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.55 -29.68 67.32 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.337 0.655 . . . . 72.4 111.512 167.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' ' 61' ' ' GLN . 92.0 mt -79.86 -3.65 48.81 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.261 0.624 . . . . 71.11 111.796 169.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 64.07 35.25 10.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.621 1.168 . . . . 75.3 111.487 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG21 HD11 ' A' ' 40' ' ' ILE . 48.7 mm -65.02 126.65 91.67 Favored Pre-proline 0 CA--C 1.561 1.377 0 C-N-CA 122.933 0.493 . . . . 73.3 110.232 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.43 -21.14 66.73 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.376 2.718 . . . . 51.42 114.613 -176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' HE1' ' HG2' ' A' ' 51' ' ' MET . 2.1 p90 -129.89 151.38 78.11 Favored Pre-proline 0 CA--C 1.565 1.543 0 C-N-CA 123.731 0.813 . . . . 74.24 112.296 -174.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.9 Cg_exo -58.68 160.86 16.29 Favored 'Trans proline' 0 C--N 1.388 2.625 0 C-N-CA 123.945 3.097 . . . . 70.43 114.595 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 68' ' ' ILE . 93.8 t -59.75 -44.17 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 123.165 0.586 . . . . 63.24 112.48 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp0 -59.02 -27.51 65.53 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.612 0.365 . . . . 73.22 111.922 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.1 tpmt? -71.19 -43.91 66.47 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 119.064 -0.493 . . . . 73.43 110.877 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 33' ' ' ILE . 4.4 mp -57.15 -42.13 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 118.166 0.439 . . . . 75.34 110.319 172.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 38' ' ' GLU . 85.3 mt -58.36 -43.2 85.84 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.391 0 C-N-CA 123.906 0.882 . . . . 63.33 111.899 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -97.3 4.99 50.65 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 113.738 1.014 . . . . 65.11 113.738 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 62.2 mt -101.02 109.74 59.17 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 122.991 0.517 . . . . 74.54 110.807 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -60.46 165.71 10.79 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.684 2.256 . . . . 53.03 112.167 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 -39.2 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 123.443 0.697 . . . . 44.01 112.377 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.88 -51.02 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 123.315 0.646 . . . . 53.42 111.831 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.11 -34.26 75.99 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.031 0.932 . . . . 74.4 112.023 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 14.6 t80 -72.6 -34.98 67.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.476 0.711 . . . . 72.21 110.741 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 5.0 m-20 -68.91 -25.39 64.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.18 0.992 . . . . 73.0 112.713 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -56.15 -47.75 77.62 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.89 0.476 . . . . 73.04 110.905 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.402 ' HG2' ' HE1' ' A' ' 35' ' ' PHE . 15.7 tpt -73.26 -43.74 60.54 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.118 0.567 . . . . 62.42 111.242 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 56' ' ' GLN . 47.7 ttm -65.6 -17.04 64.29 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.074 0.95 . . . . 71.22 112.736 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.9 t -55.47 -29.51 58.87 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.246 1.018 . . . . 51.04 112.606 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.2 -52.94 5.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.269 0.627 . . . . 72.5 111.176 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -141.11 141.52 34.19 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.997 0.919 . . . . 70.53 110.439 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.729 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.2 OUTLIER -79.46 6.72 9.57 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.111 0.782 . . . . 72.03 113.111 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 69.23 166.66 0.27 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.16 1.384 . . . . 65.41 112.148 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 58.2 t30 -77.87 153.82 32.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.829 -0.623 . . . . 63.01 110.422 174.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.13 -44.19 95.1 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.913 0.885 . . . . 72.33 111.688 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.28 73.01 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.05 0.94 . . . . 34.45 112.555 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 31' ' ' LEU . 89.8 mt-30 -70.09 -52.38 24.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.318 0.647 . . . . 61.21 110.658 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.34 -30.46 69.55 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.405 1.082 . . . . 75.43 112.614 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -54.27 -46.54 72.7 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.771 0.828 . . . . 63.51 111.728 174.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 tp -76.39 -49.97 15.41 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.442 -0.799 . . . . 75.35 111.715 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.495 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 79.3 mt -52.64 -50.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.606 1.162 . . . . 71.14 113.454 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.415 HH21 ' HA ' ' A' ' 63' ' ' ALA . 77.9 mtm180 -60.14 -43.32 95.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.897 0.479 . . . . 75.22 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.97 -39.57 92.61 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.406 0.682 . . . . 74.43 111.746 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 37' ' ' VAL . 75.1 mt -66.32 -41.67 89.39 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 123.609 0.763 . . . . 73.23 111.766 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -68.28 -41.2 81.37 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.913 0.485 . . . . 74.4 111.75 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -71.98 -24.01 61.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.258 0.623 . . . . 73.51 111.495 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 N--CA 1.483 1.212 0 C-N-CA 123.531 0.732 . . . . 71.04 110.547 173.359 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.703 0.763 . . . . 74.42 109.208 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -73.92 177.66 5.44 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.496 -1.229 . . . . 73.34 112.65 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 26' ' ' LEU . 71.7 ttt180 -61.42 -32.33 72.28 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.016 0.927 . . . . 71.22 110.689 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.92 -34.24 77.35 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.698 -1.137 . . . . 73.23 111.38 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.703 ' HA ' HG21 ' A' ' 37' ' ' VAL . 6.2 tm-20 -67.78 -45.57 74.47 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.273 0.629 . . . . 63.35 110.334 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 23' ' ' ARG . 65.6 mt -56.1 -46.19 79.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.395 1.078 . . . . 64.21 112.29 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.4 ptp180 -72.65 -34.42 67.26 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.079 0.552 . . . . 72.14 111.782 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.11 67.87 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.538 0.735 . . . . 70.44 112.592 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.56 -25.13 67.84 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.571 0.748 . . . . 73.4 111.701 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -36.32 78.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.464 0.705 . . . . 73.01 111.8 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.14 -5.33 55.2 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.708 0.803 . . . . 63.53 112.251 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 62.24 59.49 1.6 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.877 1.271 . . . . 72.53 111.895 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 65' ' ' ILE . 51.2 mm -70.41 120.93 81.63 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-N 115.442 -0.799 . . . . 71.33 109.837 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.52 6.41 4.83 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.052 2.501 . . . . 75.34 114.64 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -108.89 157.96 35.45 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 123.447 0.699 . . . . 62.22 111.629 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.76 128.51 22.29 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 121.825 1.683 . . . . 52.14 109.34 159.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 25' ' ' GLU . 58.7 t -70.42 -28.85 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 112.288 0.477 . . . . 71.21 112.288 -172.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -36.06 82.79 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.968 -0.382 . . . . 63.13 109.968 171.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -64.72 -37.53 87.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.744 0.818 . . . . 73.53 111.5 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.44 -48.51 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 123.42 0.688 . . . . 63.43 111.052 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.16 -26.13 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 C-N-CA 123.957 0.903 . . . . 72.1 111.464 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -83.31 -38.1 22.56 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.51 0.724 . . . . 64.31 111.97 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.59 120.45 75.56 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.997 0.919 . . . . 70.53 111.716 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.87 165.7 18.06 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 122.962 2.441 . . . . 61.45 112.167 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.43 -52.71 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 113.288 0.847 . . . . 74.21 113.288 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.2 t -60.64 -41.63 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.17 0.51 . . . . 72.24 111.955 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.71 -41.7 78.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.299 1.04 . . . . 73.23 112.052 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.069 -0.969 . . . . 74.32 111.434 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 6.3 m-80 -64.71 -35.86 82.43 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.819 0.848 . . . . 72.34 111.121 174.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.0 tp10 -59.48 -48.52 81.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.688 0.795 . . . . 72.15 110.881 172.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.97 -45.84 84.01 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.645 0.778 . . . . 71.41 112.454 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -74.07 -16.29 61.04 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.504 0.557 . . . . 70.11 112.504 -176.192 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -86.29 -23.5 26.29 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.241 0.616 . . . . 75.02 111.578 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 29.8 mtpp -78.32 -47.65 17.32 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.048 0.539 . . . . 75.41 111.054 173.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -87.43 145.09 26.43 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.674 0.789 . . . . 74.35 110.841 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.04 130.66 38.55 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.915 0.486 . . . . 73.52 110.856 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 92.5 m-85 -128.29 159.46 35.2 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.508 0.723 . . . . 74.03 111.595 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -78.61 154.02 30.63 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 115.417 -0.811 . . . . 55.04 109.318 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.48 -41.92 81.61 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.112 0.965 . . . . 63.34 111.32 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.51 77.84 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.859 0.864 . . . . 71.54 112.084 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.99 -54.46 46.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.198 0.599 . . . . 74.24 111.555 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.99 -41.74 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.996 0.918 . . . . 74.45 112.796 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.95 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.835 0.854 . . . . 63.31 112.838 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 27' ' ' ARG . 54.8 tp -71.92 -37.87 69.98 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.335 -0.393 . . . . 73.45 112.024 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 33' ' ' ILE . 68.8 mt -57.55 -40.49 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 C-N-CA 123.536 0.734 . . . . 74.42 111.901 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.61 -34.99 75.05 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.521 0.729 . . . . 74.4 111.877 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.21 -51.34 25.27 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 122.996 0.518 . . . . 64.31 111.134 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.34 -44.42 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.08 0.952 . . . . 62.33 112.559 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -50.63 71.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.518 0.727 . . . . 70.42 110.516 -176.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -70.36 -45.75 65.46 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.297 0.639 . . . . 72.41 112.251 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 122.788 0.435 . . . . 63.0 110.081 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.98 0.419 . . . . 74.45 110.342 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -74.88 173.73 10.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 52.11 111.55 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -51.99 -44.08 63.9 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.153 0.981 . . . . 74.51 112.229 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -68.55 -41.63 79.53 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 124.602 1.161 . . . . 73.41 112.551 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.11 -39.67 79.26 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.372 0.669 . . . . 64.41 111.912 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.33 -39.84 95.67 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.61 0.764 . . . . 75.23 111.703 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -71.69 -36.81 70.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.364 0.666 . . . . 75.11 112.343 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -48.71 72.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.944 0.498 . . . . 52.53 110.916 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.41 -28.09 69.75 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.687 -0.688 . . . . 74.13 111.396 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.53 92.74 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.029 0.532 . . . . 72.23 111.734 174.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.57 -5.18 59.1 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.199 0.6 . . . . 74.43 112.585 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 61.77 49.01 5.09 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.599 1.16 . . . . 73.43 110.97 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 49.7 mm -70.82 126.65 92.19 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.591 0.757 . . . . 72.13 109.337 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 25.7 Cg_exo -64.74 -10.27 24.21 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.12 2.546 . . . . 64.44 114.968 -174.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.16 151.85 43.96 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 123.494 0.718 . . . . 52.43 111.259 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.79 143.71 74.76 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 121.997 1.798 . . . . 51.11 109.968 159.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 68' ' ' ILE . 73.5 t -58.86 -32.81 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 113.09 0.774 . . . . 63.13 113.09 -173.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.52 -35.07 60.28 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 112.349 0.5 . . . . 74.41 112.349 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -55.8 -51.24 68.16 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.27 0.628 . . . . 74.2 111.923 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -62.65 -37.44 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 123.59 0.756 . . . . 72.55 110.6 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.03 -40.63 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.883 0.873 . . . . 64.05 111.956 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 82.4 m-20 -76.72 -24.86 53.07 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.495 0.554 . . . . 63.33 112.495 -175.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 108.54 23.82 Favored Pre-proline 0 CA--C 1.566 1.565 0 C-N-CA 123.265 0.626 . . . . 71.32 111.636 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 6.4 Cg_exo -74.41 -172.0 1.07 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 123.009 2.472 . . . . 55.54 112.125 172.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -53.33 -56.56 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 113.285 0.846 . . . . 70.15 113.285 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.83 -52.87 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 121.109 0.48 . . . . 53.33 111.931 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 6.0 m-20 -67.87 -38.97 83.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.616 0.767 . . . . 72.13 112.987 -174.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.19 -43.17 64.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.107 0.563 . . . . 55.14 112.309 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -56.1 -27.09 52.39 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.927 0.714 . . . . 53.51 112.927 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.01 -48.74 75.36 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.594 0.758 . . . . 74.53 112.217 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.4 tpt -70.58 -43.45 69.39 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.301 0.64 . . . . 45.54 111.662 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.401 ' SD ' ' NH2' ' A' ' 66' ' ' ARG . 56.9 ttp -65.32 -31.73 73.01 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.635 0.774 . . . . 73.41 111.691 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 t -70.97 -41.41 71.06 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.582 0.753 . . . . 73.54 111.015 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -64.7 -49.23 71.71 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.406 -1.27 . . . . 65.22 111.673 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.48 130.5 19.44 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.284 0.634 . . . . 74.34 109.93 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.52 153.9 41.86 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.861 0.864 . . . . 71.44 112.994 -173.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -120.22 156.17 31.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.296 1.038 . . . . 71.43 108.392 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.66 156.72 38.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.33 0.252 . . . . 73.53 111.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.18 -33.87 71.44 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.565 0.746 . . . . 74.22 112.764 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.38 95.98 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.617 0.767 . . . . 61.14 111.82 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -69.39 -54.31 15.07 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.193 0.997 . . . . 74.21 111.136 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD22 HH12 ' A' ' 66' ' ' ARG . 82.4 mt -62.47 -27.74 69.34 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.825 0.85 . . . . 72.43 112.655 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.21 -59.52 4.55 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.765 0.826 . . . . 73.43 111.735 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.67 -45.11 85.99 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.716 0.806 . . . . 75.03 111.272 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.93 -35.76 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 123.817 0.847 . . . . 71.01 112.39 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.619 HH12 HD22 ' A' ' 62' ' ' LEU . 59.2 mmt-85 -64.34 -51.15 64.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 110.116 -0.328 . . . . 75.04 110.116 175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 22.5 m-20 -59.42 -38.35 80.42 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.009 0.924 . . . . 64.53 112.409 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -61.62 -45.71 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.393 0.677 . . . . 72.31 111.13 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.92 -30.1 71.07 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.22 0.608 . . . . 74.31 112.079 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 22.9 mmt85 -65.11 -47.75 76.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.766 0.426 . . . . 73.13 110.235 173.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 11.3 mmm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-N 116.104 -0.498 . . . . 72.54 111.05 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.698 0.285 . . . . 74.12 110.445 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.68 58.55 0.03 OUTLIER Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.584 -0.607 . . . . 75.11 111.584 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 113.62 13.85 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.554 0.742 . . . . 64.4 112.606 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -153.87 137.5 16.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.908 0.483 . . . . 74.32 111.603 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -163.95 102.1 0.88 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.104 0.962 . . . . 70.33 110.155 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -89.87 -26.0 20.71 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.114 0.565 . . . . 72.43 112.107 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.94 131.3 42.02 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.016 0.526 . . . . 72.4 111.659 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -68.49 106.48 2.57 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.999 0.92 . . . . 72.14 110.43 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -128.14 17.43 6.63 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.228 0.611 . . . . 51.54 112.366 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -75.84 75.56 2.78 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 123.239 0.616 . . . . 74.34 111.356 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.2 mtt -95.93 102.19 13.95 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.571 0.748 . . . . 61.23 109.909 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -77.27 123.34 26.33 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.477 0.711 . . . . 70.14 111.658 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -135.58 81.29 1.88 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.836 0.854 . . . . 74.21 109.014 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.401 ' HA ' ' SG ' ' A' ' 81' ' ' CYS . 36.5 t -84.86 -54.26 4.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.141 0.576 . . . . 73.35 111.316 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -72.45 86.06 1.14 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.026 0.53 . . . . 52.12 110.64 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp85 -139.48 123.45 17.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.176 0.99 . . . . 75.33 110.884 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.94 106.49 6.5 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 106.986 -1.487 . . . . 50.41 106.986 167.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.83 90.14 1.42 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.926 -0.579 . . . . 61.25 112.349 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.83 -9.3 58.58 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 115.642 -0.708 . . . . 42.33 109.707 158.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -77.35 63.37 2.53 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 125.563 1.545 . . . . 73.24 110.371 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.64 85.5 5.7 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.239 0.615 . . . . 74.05 109.614 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -72.07 177.65 4.26 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.276 1.03 . . . . 50.3 112.481 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.73 -36.52 72.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.521 0.729 . . . . 74.14 111.564 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' ' 68' ' ' ILE . 5.2 m-20 -62.37 -28.66 69.92 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.958 0.903 . . . . 64.12 111.914 176.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.26 -44.35 65.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.626 0.77 . . . . 73.01 110.051 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.86 -39.13 84.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.761 0.824 . . . . 75.0 111.416 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -71.68 -31.8 67.17 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.209 1.004 . . . . 75.54 111.647 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.74 87.94 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.43 111.025 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 88' ' ' ASN . 81.2 mttt -67.57 -38.34 83.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.546 0.738 . . . . 74.3 111.923 172.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.48 92.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.306 0.643 . . . . 72.33 112.243 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.3 -8.46 50.83 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.425 0.69 . . . . 74.23 112.526 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 59.07 58.99 2.92 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.303 1.041 . . . . 74.31 111.738 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.0 mm -74.16 131.46 80.92 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.834 0.854 . . . . 64.44 110.657 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.01 -6.28 18.71 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 122.784 2.323 . . . . 72.24 114.279 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' H ' HG22 ' A' ' 33' ' ' ILE . 25.1 m-85 -125.44 150.6 68.21 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.752 0.821 . . . . 73.35 109.36 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.59 157.62 61.08 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 121.996 1.797 . . . . 45.02 113.099 174.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.03 -47.0 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 C-N-CA 125.642 1.577 . . . . 72.53 112.304 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' HD21 ' A' ' 42' ' ' ASN . 1.7 tt0 -57.76 -46.66 84.21 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.859 1.264 . . . . 73.31 112.666 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -69.8 -30.52 68.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.869 0.692 . . . . 65.42 112.869 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -38.33 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.007 0.523 . . . . 53.14 110.767 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG21 ' O ' ' A' ' 72' ' ' GLY . 24.1 mt -77.3 -40.59 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.496 0.718 . . . . 73.43 111.141 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.401 HD21 ' HG2' ' A' ' 38' ' ' GLU . 86.9 m-20 -77.58 -22.19 51.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.425 0.898 . . . . 42.55 113.425 -172.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.96 111.74 44.61 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 122.908 0.483 . . . . 74.43 110.207 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.73 162.41 25.1 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.781 2.321 . . . . 50.42 111.944 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.14 -43.0 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.108 0.563 . . . . 73.41 112.205 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.49 -52.03 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.553 0.741 . . . . 64.52 112.043 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 -37.02 74.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.049 0.94 . . . . 73.03 111.806 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.41 -31.36 71.52 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.475 1.11 . . . . 75.3 111.132 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' MET . 4.7 m-20 -56.61 -29.35 62.04 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 112.796 0.665 . . . . 72.0 112.796 175.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.07 -39.24 92.95 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.965 0.412 . . . . 71.21 110.974 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 1.2 mpt? -66.46 -42.02 88.19 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.695 0.798 . . . . 62.14 111.941 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 49' ' ' ASN . 22.0 ptp -75.2 -17.51 60.35 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 112.112 0.412 . . . . 74.02 112.112 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -68.43 -26.4 65.5 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.956 0.503 . . . . 63.42 111.053 171.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.6 -53.18 4.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.284 0.564 . . . . 73.33 110.782 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -118.47 122.89 43.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.213 1.005 . . . . 44.11 110.706 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.08 144.41 52.14 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.577 0.351 . . . . 73.15 110.732 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.23 130.55 56.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.186 0.594 . . . . 72.34 110.116 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.1 165.6 23.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.648 0.779 . . . . 72.23 111.876 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.8 -38.45 67.32 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.856 0.862 . . . . 70.41 113.246 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.5 69.36 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.68 0.792 . . . . 64.24 111.543 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.64 -46.52 89.43 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.474 0.71 . . . . 70.21 111.485 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.25 -37.25 82.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.759 0.823 . . . . 64.54 112.354 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.199 0.6 . . . . 73.11 111.904 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.05 -48.73 56.69 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.087 0.555 . . . . 73.34 111.568 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.78 -34.0 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.922 0.889 . . . . 63.25 111.202 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -65.5 -48.18 73.45 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.018 0.927 . . . . 60.01 111.029 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -74.09 -47.64 35.05 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.869 0.868 . . . . 71.53 112.477 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG12 ' HB3' ' A' ' 24' ' ' ASP . 51.9 mt -53.15 -48.48 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 124.385 1.074 . . . . 63.43 112.518 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -62.24 -29.71 70.59 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.868 0.867 . . . . 74.53 112.386 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -79.36 -24.91 42.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.473 0.709 . . . . 71.42 112.242 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -83.38 -61.51 1.83 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.941 0.496 . . . . 73.21 111.202 -175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.502 ' O ' HG21 ' A' ' 41' ' ' ILE . . . -99.61 50.34 1.15 Allowed Glycine 0 C--N 1.348 1.211 0 CA-C-N 116.106 -0.497 . . . . 45.44 113.268 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -51.25 -20.97 1.83 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 115.774 1.768 . . . . 70.12 115.774 -171.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -58.12 147.81 28.67 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.964 0.906 . . . . 62.15 112.521 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 75.01 1.59 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.835 -0.54 . . . . 70.32 110.892 -176.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 m -93.46 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 CA-C-O 121.934 0.874 . . . . 74.22 111.16 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.69 107.78 2.25 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.33 -0.85 . . . . 52.43 113.007 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 117.74 9.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.118 0.567 . . . . 74.32 110.795 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -87.3 -173.8 4.56 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.42 0.688 . . . . 61.33 111.963 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -58.65 104.25 0.21 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.194 0.998 . . . . 74.22 112.906 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 14' ' ' SER . 39.0 m -135.63 62.29 1.63 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.325 0.65 . . . . 54.41 111.613 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 61.84 7.68 2.11 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.942 1.297 . . . . 62.03 114.362 171.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mptt 61.22 172.42 0.11 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 123.753 0.821 . . . . 74.1 111.805 -163.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -157.43 143.95 17.98 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.18 0.592 . . . . 75.35 110.663 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -73.5 86.97 1.58 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.638 0.732 . . . . 72.32 109.889 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.53 132.27 44.46 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.935 -1.03 . . . . 72.54 110.819 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.39 91.86 0.77 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.544 -0.91 . . . . 72.44 108.544 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.527 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.0 t-20 -156.59 154.82 30.81 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.715 0.806 . . . . 73.32 109.907 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.7 tt -93.12 -34.54 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.712 0.405 . . . . 53.13 112.016 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.579 2.059 0 C-N-CA 125.167 1.387 . . . . 73.12 112.075 -173.614 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tmm? . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.337 -0.616 . . . . 75.4 109.337 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.22 33.39 4.31 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 114.912 0.725 . . . . 72.31 114.912 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 66.32 166.64 0.21 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 125.421 1.488 . . . . 74.53 113.373 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -135.16 -65.52 0.61 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.649 0.78 . . . . 72.54 111.234 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -163.11 149.37 12.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 112.469 0.544 . . . . 70.44 112.469 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -149.84 101.4 3.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.924 0.89 . . . . 74.01 109.888 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -159.37 2.45 0.09 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.242 0.617 . . . . 65.42 112.403 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.4 98.16 0.33 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.546 0.739 . . . . 74.11 110.467 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t -160.49 177.89 10.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.499 0.72 . . . . 71.01 111.19 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -132.73 112.11 11.71 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.902 0.881 . . . . 73.24 110.955 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.1 tpt -168.27 71.03 0.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 123.383 0.673 . . . . 70.14 111.59 176.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -135.64 105.05 6.01 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.772 0.829 . . . . 74.33 110.178 168.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -153.39 58.0 0.76 Allowed 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 121.929 0.871 . . . . 63.44 110.054 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 t -165.85 146.84 6.85 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.243 -0.89 . . . . 63.11 110.489 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -149.76 148.59 29.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.171 0.588 . . . . 75.34 110.697 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 59.42 73.39 0.48 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.314 1.046 . . . . 72.21 111.882 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 141.56 28.72 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.526 -0.761 . . . . 74.34 110.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HB3' ' H ' ' A' ' 85' ' ' LYS . 42.5 tt0 62.25 87.65 0.1 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.676 1.19 . . . . 64.21 110.665 -170.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.73 12.08 0.78 Allowed 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 115.383 -0.826 . . . . 65.41 111.735 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -117.79 97.08 5.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.713 0.805 . . . . 74.22 110.732 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.8 mt -82.36 87.62 6.59 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.905 0.482 . . . . 73.34 110.596 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -68.44 175.15 3.55 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.856 0.862 . . . . 71.12 111.83 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -55.47 -42.57 74.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.545 0.738 . . . . 62.1 112.148 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' HB2' HG11 ' A' ' 37' ' ' VAL . 4.9 m-20 -77.78 -28.79 50.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 74.21 112.369 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 9.9 mm-40 -60.1 -38.17 82.17 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.893 0.477 . . . . 63.1 110.498 172.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.26 -45.89 89.99 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.408 0.683 . . . . 35.32 110.835 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -66.82 -35.24 79.6 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.381 -0.827 . . . . 74.33 111.309 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -44.62 76.16 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.173 0.989 . . . . 41.4 112.271 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 24.4 mmtp -74.68 -24.53 58.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.658 0.383 . . . . 73.13 110.891 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.63 69.14 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.585 0.754 . . . . 73.51 111.434 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD12 HD22 ' A' ' 64' ' ' LEU . 96.7 mt -92.24 -9.46 42.11 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.733 . . . . 65.22 112.716 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 65.3 58.56 0.85 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 124.724 1.21 . . . . 75.4 112.338 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 35' ' ' PHE . 35.8 mm -75.22 126.51 87.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 123.012 0.525 . . . . 62.11 110.327 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.81 -4.1 13.37 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.314 2.676 . . . . 72.35 114.35 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.675 ' H ' HG22 ' A' ' 33' ' ' ILE . 39.5 m-85 -115.82 158.99 40.76 Favored Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.577 1.151 . . . . 72.12 110.733 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.568 ' HD3' ' HD2' ' A' ' 83' ' ' LYS . 79.7 Cg_endo -79.52 143.63 17.23 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 121.864 1.71 . . . . 75.31 111.3 162.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 24' ' ' ASP . 76.2 t -56.53 -36.03 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.728 0.811 . . . . 74.24 111.861 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -50.81 -51.59 49.39 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.867 0.867 . . . . 74.24 111.608 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.64 -43.74 83.81 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.769 0.655 . . . . 63.32 112.769 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 35' ' ' PHE . 49.7 mt -62.32 -29.19 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 118.794 0.725 . . . . 73.15 111.783 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -69.25 -46.25 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.729 0.412 . . . . 74.35 111.101 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -92.45 0.28 57.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.623 0.972 . . . . 53.23 113.623 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.3 122.71 68.33 Favored Pre-proline 0 N--CA 1.479 1.009 0 N-CA-C 108.953 -0.758 . . . . 71.44 108.953 171.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.71 132.85 54.58 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.392 2.061 . . . . 61.1 111.596 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG13 HH11 ' A' ' 69' ' ' ARG . 76.9 t -52.37 -31.32 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.841 0.856 . . . . 63.1 112.265 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.08 -52.54 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 122.945 0.498 . . . . 33.32 111.154 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.99 -38.64 89.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.843 0.857 . . . . 70.31 111.756 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.74 -37.32 65.12 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.223 -0.444 . . . . 73.32 111.607 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.56 -32.42 62.41 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 112.043 0.386 . . . . 63.12 112.043 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.4 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.294 0.637 . . . . 73.13 110.49 173.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.9 ttm -69.52 -54.85 12.16 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.085 -0.961 . . . . 71.41 110.446 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.12 -28.72 68.1 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.264 1.426 . . . . 61.03 113.604 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -59.25 -29.78 67.8 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.2 0.6 . . . . 50.41 112.547 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.39 -47.19 4.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.559 0.743 . . . . 73.02 110.798 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.07 83.59 2.93 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.426 0.69 . . . . 60.11 110.089 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.34 160.72 30.67 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.352 -0.84 . . . . 75.45 113.061 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -135.51 168.07 19.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.946 0.898 . . . . 71.43 110.473 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.74 157.43 37.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.256 0.622 . . . . 53.1 110.718 171.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.04 -40.99 74.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.57 0.748 . . . . 53.33 112.732 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.81 -37.24 79.09 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.767 0.827 . . . . 64.44 112.001 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.51 -42.65 95.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.378 0.671 . . . . 75.33 111.436 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 99.4 mt -64.38 -38.13 89.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.538 0.735 . . . . 54.25 112.046 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.48 83.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.063 0.545 . . . . 74.14 111.772 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -69.6 -43.18 73.32 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.299 0.639 . . . . 51.14 111.774 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.73 -34.16 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.632 0.773 . . . . 71.21 111.966 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 86.1 mtt180 -61.83 -40.24 94.62 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.216 0.606 . . . . 75.34 111.422 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.2 -45.78 58.92 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.561 0.744 . . . . 70.04 111.19 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -47.42 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 C-N-CA 123.679 0.792 . . . . 75.43 111.911 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.467 HH11 HG13 ' A' ' 45' ' ' VAL . 68.8 mtm180 -65.42 -29.16 69.81 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.803 0.441 . . . . 72.41 111.757 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -68.51 -24.68 64.69 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.083 0.553 . . . . 72.24 111.296 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -77.95 -10.69 59.71 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.297 0.639 . . . . 63.03 111.548 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.94 76.88 0.55 Allowed Glycine 0 C--N 1.351 1.377 0 C-N-CA 123.202 0.429 . . . . 62.35 113.4 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.81 -26.26 15.72 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.654 0.782 . . . . 64.04 110.0 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -85.44 77.67 9.87 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.872 0.869 . . . . 63.35 111.549 -173.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -91.59 23.86 3.32 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.513 0.725 . . . . 54.14 110.896 170.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.87 -51.64 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.477 1.111 . . . . 74.15 110.253 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.79 121.75 8.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.152 0.981 . . . . 43.41 110.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.55 86.17 2.64 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.975 0.51 . . . . 71.42 111.084 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -77.73 87.07 3.99 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.768 0.794 . . . . 74.33 111.089 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -102.3 85.45 2.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.516 0.674 . . . . 65.32 110.189 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.88 121.9 20.76 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.279 -0.873 . . . . 62.2 110.855 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -64.72 113.07 3.52 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.102 0.561 . . . . 74.11 110.704 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.34 144.54 53.8 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.682 0.793 . . . . 70.1 113.103 -170.344 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -143.56 -35.41 0.38 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.415 0.686 . . . . 74.23 111.272 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.473 ' H ' ' HB3' ' A' ' 18' ' ' GLU . 12.6 tmtt? 74.55 129.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.079 1.352 . . . . 70.2 112.036 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.09 141.49 58.75 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.242 1.017 . . . . 70.55 113.696 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.9 -16.9 57.87 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.323 1.049 . . . . 72.43 112.792 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -58.37 108.69 0.65 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.723 0.809 . . . . 35.5 112.921 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.1 mt 74.93 -56.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.543 1.537 . . . . 63.53 113.042 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 CA--C 1.564 1.503 0 C-N-CA 123.701 0.8 . . . . 65.44 111.374 178.44 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.568 -0.16 . . . . 65.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.28 0.94 4.42 Favored Glycine 0 N--CA 1.476 1.365 0 CA-C-O 119.871 -0.405 . . . . 72.21 113.932 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -78.5 86.24 4.54 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.507 0.67 . . . . 64.14 110.984 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -106.22 121.11 43.53 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.741 0.816 . . . . 63.0 109.888 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -72.99 113.49 10.08 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.12 0.486 . . . . 74.42 110.841 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -151.9 -69.02 0.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.088 0.955 . . . . 74.11 110.668 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 57.41 -82.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.636 1.174 . . . . 61.41 111.204 -169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -161.01 166.7 27.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.653 0.781 . . . . 75.3 111.46 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -136.06 155.96 49.44 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.627 0.771 . . . . 71.41 110.289 173.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.66 52.66 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.894 0.855 . . . . 73.44 109.789 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.1 ttp -76.5 81.76 3.2 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.838 -1.074 . . . . 63.55 110.049 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -155.37 81.21 1.05 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.87 -1.059 . . . . 73.22 108.818 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -125.72 79.26 1.81 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.821 -0.807 . . . . 75.33 108.821 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t 52.73 75.7 0.23 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.056 0.942 . . . . 74.25 110.39 -169.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 m -70.35 78.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.608 0.763 . . . . 74.43 112.156 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -123.46 -13.16 7.65 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.165 0.986 . . . . 64.51 111.393 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -147.74 154.6 40.74 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.465 0.543 . . . . 64.44 112.465 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 49.03 57.78 6.08 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.755 1.622 . . . . 61.45 114.109 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 13.38 6.33 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.681 0.792 . . . . 74.25 112.635 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 59.3 75.62 0.39 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.449 1.1 . . . . 71.12 111.084 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -78.68 91.24 4.63 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 114.831 -1.077 . . . . 75.44 111.693 -172.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 p -71.78 173.67 7.9 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.733 -0.667 . . . . 74.14 110.58 170.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -59.66 -36.22 75.98 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.146 0.974 . . . . 70.44 109.657 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.52 -41.21 63.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 113.463 -1.699 . . . . 73.51 111.1 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.96 -38.91 87.58 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.65 0.78 . . . . 72.34 111.636 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.03 -50.23 67.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.482 0.713 . . . . 74.52 111.898 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -69.75 -30.79 68.47 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.879 0.472 . . . . 75.01 111.702 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -54.06 29.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.259 0.624 . . . . 73.44 111.046 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.12 -23.2 64.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.429 0.692 . . . . 54.12 111.76 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.59 85.08 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.301 0.64 . . . . 40.32 111.566 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 64' ' ' LEU . 32.5 mt -83.74 4.21 29.87 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.521 0.728 . . . . 75.34 112.121 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 59.52 49.01 9.02 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.912 1.285 . . . . 73.11 112.148 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.2 119.96 71.26 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 108.527 -0.916 . . . . 75.52 108.527 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.16 -3.81 13.64 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.5 2.133 . . . . 72.53 113.928 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.512 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 23.1 m-85 -123.29 156.84 62.9 Favored Pre-proline 0 CA--C 1.56 1.331 0 C-N-CA 124.12 0.968 . . . . 72.1 110.395 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 158.19 55.31 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 121.844 1.696 . . . . 71.32 112.673 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.72 -44.37 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 124.56 1.144 . . . . 45.23 112.719 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.01 -34.01 69.56 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.362 0.665 . . . . 73.22 112.224 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 62.7 tttp -71.73 -39.98 69.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.932 0.493 . . . . 71.42 112.057 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -42.95 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 121.129 0.49 . . . . 64.53 110.138 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.2 -37.6 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.993 0.917 . . . . 75.13 111.088 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -76.85 -31.59 56.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.673 0.789 . . . . 71.12 112.138 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.78 113.22 30.57 Favored Pre-proline 0 N--CA 1.483 1.2 0 C-N-CA 123.703 0.801 . . . . 72.35 111.732 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.98 163.21 34.71 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.631 2.221 . . . . 63.42 111.834 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.02 -40.14 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.943 0.497 . . . . 71.42 112.267 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.68 -51.11 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 C-N-CA 123.027 0.531 . . . . 63.14 111.517 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.11 -35.15 76.26 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.891 0.876 . . . . 71.05 111.619 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 28.0 t80 -74.73 -32.75 62.21 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.667 -0.697 . . . . 61.4 111.793 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -46.12 89.83 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.879 0.472 . . . . 64.13 110.076 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.61 -46.63 89.02 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.081 0.952 . . . . 72.14 111.237 172.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -60.98 -39.23 88.81 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.54 0.736 . . . . 73.41 111.953 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 47.2 ttp -76.61 -30.52 56.96 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.526 1.131 . . . . 71.32 111.807 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 m -64.03 -34.0 77.03 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.032 0.533 . . . . 73.42 111.612 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -87.87 -52.57 5.21 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.296 0.638 . . . . 63.24 109.782 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.73 111.94 23.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 72.13 111.013 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -81.1 114.4 19.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.205 0.602 . . . . 74.42 110.725 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -101.1 170.14 8.47 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.297 0.639 . . . . 75.41 111.212 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -85.09 158.85 20.31 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.039 0.536 . . . . 73.42 110.494 172.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.48 -34.73 78.96 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.779 0.432 . . . . 70.43 111.88 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.35 71.21 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.305 0.642 . . . . 70.24 111.538 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.9 -54.14 35.44 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.963 0.505 . . . . 72.11 110.678 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.51 -33.15 67.75 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.972 0.909 . . . . 75.12 112.359 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -57.46 -58.7 7.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.507 0.723 . . . . 74.1 111.184 174.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -66.29 -39.2 89.2 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.924 -177.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.464 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 69.3 mt -54.71 -46.61 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.795 0.838 . . . . 54.23 111.664 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.546 HH21 ' HA ' ' A' ' 63' ' ' ALA . 84.9 mtm180 -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.478 -0.328 . . . . 74.24 111.534 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -62.16 -44.57 96.32 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.291 0.636 . . . . 73.24 111.936 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.66 -41.84 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.238 1.015 . . . . 60.41 111.279 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -73.67 -31.05 63.27 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 112.398 0.518 . . . . 73.22 112.398 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 45.4 mtm105 -64.22 -45.25 89.06 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.098 0.475 . . . . 43.44 110.266 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -65.67 -31.54 72.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.498 1.119 . . . . 55.14 111.64 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.4 -54.38 38.16 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.648 -0.705 . . . . 73.12 114.084 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -137.63 -81.95 0.34 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.989 0.516 . . . . 74.42 109.818 172.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -175.81 133.18 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.46 1.104 . . . . 70.12 109.389 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -106.26 110.31 22.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.71 0.404 . . . . 63.2 110.461 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.56 -56.52 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.566 0.746 . . . . 53.13 110.642 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.58 172.51 12.7 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.755 0.822 . . . . 75.41 111.521 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.65 152.49 18.95 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.772 0.829 . . . . 61.24 111.615 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.95 133.66 43.49 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.686 0.795 . . . . 71.51 109.949 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -119.94 25.99 9.58 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.227 0.611 . . . . 71.33 110.84 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.2 t -62.76 129.49 40.74 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.698 0.799 . . . . 62.42 112.808 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -163.83 159.77 21.53 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.379 1.071 . . . . 71.23 110.074 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -95.43 169.34 10.13 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.607 0.595 . . . . 74.32 112.607 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.61 86.54 0.47 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 107.902 -1.148 . . . . 74.42 107.902 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -141.67 -11.68 0.9 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.137 0.575 . . . . 74.04 112.127 -169.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.5 76.48 6.11 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 121.696 0.76 . . . . 54.21 111.797 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.37 162.79 30.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.411 1.084 . . . . 73.12 109.936 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -127.77 147.2 50.41 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.195 0.521 . . . . 73.42 111.347 -173.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.2 tp -124.19 144.28 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 124.496 1.118 . . . . 72.03 108.939 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.576 1.947 0 C-N-CA 124.779 1.232 . . . . 64.21 111.248 -174.848 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.498 1.954 0 N-CA-C 112.147 0.425 . . . . 71.21 112.147 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.03 103.85 1.07 Allowed Glycine 0 C--N 1.353 1.497 0 N-CA-C 114.709 0.644 . . . . 73.03 114.709 -173.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -126.61 105.44 8.72 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.132 0.973 . . . . 72.43 109.889 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -148.19 101.44 3.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.21 0.604 . . . . 64.43 110.341 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -77.09 159.56 29.72 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.079 0.552 . . . . 61.24 111.757 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -127.6 140.4 52.13 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.817 0.847 . . . . 71.33 110.239 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -77.01 119.98 21.48 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.403 0.681 . . . . 60.3 111.922 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -100.43 139.8 35.59 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.88 0.872 . . . . 72.23 110.149 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -168.29 67.47 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 72.22 111.341 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -80.12 80.79 6.5 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 109.365 -0.606 . . . . 64.31 109.365 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.2 ttm -93.05 -39.06 11.3 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.398 0.679 . . . . 44.11 111.232 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -59.81 117.61 5.21 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.686 0.795 . . . . 73.11 111.669 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -77.02 133.08 39.22 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.279 0.632 . . . . 71.13 111.579 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.9 m -97.26 95.15 7.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.2 0.6 . . . . 65.31 110.154 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.5 p -154.27 122.07 5.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.485 0.714 . . . . 72.21 110.219 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -70.13 130.83 43.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.957 0.503 . . . . 72.42 111.125 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.4 158.77 43.93 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.521 0.728 . . . . 73.14 109.687 170.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.88 126.84 31.51 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 108.946 -0.761 . . . . 70.24 108.946 170.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 80' ' ' ASN . . . -69.75 148.51 49.09 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.526 0.33 . . . . 74.05 111.56 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -67.95 90.97 0.32 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.721 0.808 . . . . 73.12 112.946 -164.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.77 92.59 2.51 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.574 -0.739 . . . . 74.14 110.981 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -81.22 175.91 10.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.089 0.956 . . . . 63.23 111.061 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -49.92 -51.38 41.37 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.901 0.88 . . . . 71.23 112.291 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -61.75 -44.27 97.22 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.881 1.272 . . . . 72.11 112.636 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.45 -34.69 74.37 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.304 0.641 . . . . 71.33 112.215 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.58 -33.1 66.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.486 0.715 . . . . 73.12 111.629 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -71.1 -35.58 71.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.417 0.687 . . . . 73.01 110.837 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.78 95.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.802 0.841 . . . . 73.34 110.983 174.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.77 -40.34 79.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.583 0.753 . . . . 71.24 111.481 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.16 94.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.765 0.826 . . . . 74.02 112.677 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.64 -5.09 52.22 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.362 0.665 . . . . 74.24 112.245 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m80 61.84 58.76 1.87 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.245 1.018 . . . . 75.13 112.046 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 35' ' ' PHE . 28.8 mm -70.48 130.8 88.72 Favored Pre-proline 0 CA--C 1.561 1.402 0 CA-C-N 115.371 -0.831 . . . . 75.42 109.774 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -55.98 -23.8 45.18 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.096 2.531 . . . . 72.22 114.451 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.684 ' H ' HG22 ' A' ' 33' ' ' ILE . 37.5 m-85 -113.69 161.35 28.02 Favored Pre-proline 0 CA--C 1.563 1.448 0 C-N-CA 123.967 0.907 . . . . 74.22 112.259 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.86 165.25 31.71 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.831 2.354 . . . . 72.52 111.975 162.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.65 -42.32 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 122.814 0.446 . . . . 71.01 111.778 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.64 -35.66 31.63 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.994 0.918 . . . . 75.32 112.058 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HE3' HD11 ' A' ' 43' ' ' LEU . 59.0 tptt -62.29 -51.95 65.66 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.862 0.865 . . . . 74.04 111.409 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -36.7 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 123.109 0.563 . . . . 73.44 110.996 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.571 HD13 ' H ' ' A' ' 74' ' ' ASN . 80.3 mt -62.5 -44.55 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.311 0.645 . . . . 63.44 111.458 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.19 -41.41 49.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.134 0.574 . . . . 53.4 112.003 -173.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.589 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.7 mt -64.98 112.71 8.74 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 123.442 0.697 . . . . 63.45 111.778 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.1 151.49 81.54 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.367 2.045 . . . . 63.55 111.304 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -39.1 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 123.719 0.808 . . . . 71.1 112.767 -170.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -59.61 -53.34 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.11 0.564 . . . . 70.04 112.268 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.96 -35.98 77.38 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.39 0.676 . . . . 71.5 111.876 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -68.98 -35.55 76.84 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.035 -0.53 . . . . 74.35 111.23 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.99 -38.29 82.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.094 0.557 . . . . 75.21 111.671 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.4 -41.97 75.7 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.79 0.436 . . . . 62.3 111.248 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.9 ttm -59.38 -42.88 92.72 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.555 0.742 . . . . 73.1 111.354 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.8 ttp -72.94 -29.72 63.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.986 1.315 . . . . 72.41 111.792 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.3 t -69.88 -37.78 76.14 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.519 0.727 . . . . 71.52 111.453 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -77.43 -52.94 8.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.706 0.765 . . . . 75.33 110.049 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -105.9 80.19 1.5 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.582 -1.19 . . . . 64.24 109.258 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.5 104.31 2.29 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.745 -0.662 . . . . 52.2 110.965 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.69 166.08 23.93 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.522 0.729 . . . . 74.51 111.041 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.81 152.52 45.2 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.045 0.538 . . . . 74.54 109.98 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.01 -30.04 70.06 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.062 0.764 . . . . 65.54 113.062 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.31 67.17 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.443 0.697 . . . . 71.03 111.377 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.32 -44.2 97.06 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.488 0.715 . . . . 73.33 111.3 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.11 -35.49 80.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.153 0.981 . . . . 63.02 111.53 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.4 80.07 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.363 0.665 . . . . 70.45 112.12 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -67.57 -41.4 84.21 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.985 0.514 . . . . 74.2 110.765 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.53 -38.56 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 C-N-CA 123.627 0.771 . . . . 73.12 111.53 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.68 -51.09 68.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.116 0.484 . . . . 74.21 110.072 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.5 -50.74 70.9 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 114.597 -1.183 . . . . 71.22 111.625 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.5 -39.53 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 C-N-CA 123.933 0.893 . . . . 70.24 112.049 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -71.95 -48.33 46.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.463 0.705 . . . . 75.33 112.12 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.07 -29.07 69.93 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.522 0.729 . . . . 74.41 111.753 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -81.16 -46.2 15.24 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.338 0.655 . . . . 71.43 111.724 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.13 56.28 23.13 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.623 -0.591 . . . . 74.32 111.623 -169.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.2 -44.22 92.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.434 1.094 . . . . 73.22 113.157 -164.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.571 ' H ' HD13 ' A' ' 41' ' ' ILE . 8.6 t30 61.55 -75.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.288 1.435 . . . . 51.1 113.85 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.35 83.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.892 0.877 . . . . 62.23 112.855 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.36 -28.31 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 C-N-CA 123.656 0.783 . . . . 74.22 109.521 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 70.37 149.97 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.591 1.556 . . . . 74.54 113.387 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.16 -174.91 0.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.472 1.109 . . . . 52.12 112.143 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -104.48 108.52 19.98 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 121.74 -0.6 . . . . 63.41 110.485 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.658 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 45.1 m-20 -82.33 91.21 6.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.233 0.539 . . . . 54.02 110.887 175.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -73.33 143.57 46.87 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.245 -0.889 . . . . 34.32 110.639 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 134.65 45.41 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.147 0.499 . . . . 71.01 112.152 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -136.45 -179.82 5.91 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.284 0.634 . . . . 60.14 111.358 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -101.75 -176.52 3.16 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.585 0.754 . . . . 72.11 110.639 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.85 91.42 0.64 Allowed 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.951 -0.568 . . . . 74.53 109.924 168.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.18 108.98 1.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.786 0.834 . . . . 74.31 110.508 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.7 144.46 57.01 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.275 0.63 . . . . 65.42 111.527 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -76.94 83.19 3.48 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.812 -0.631 . . . . 71.3 110.714 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.5 tt -72.03 156.72 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 123.709 0.804 . . . . 72.12 110.026 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.517 0.727 . . . . 74.13 112.691 175.445 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.637 -0.505 . . . . 62.53 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.12 143.91 10.43 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-O 120.098 -0.279 . . . . 73.03 113.132 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 m80 64.18 20.43 12.18 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 124.879 1.272 . . . . 63.15 113.263 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -75.26 118.65 18.4 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.959 0.409 . . . . 75.31 111.596 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -73.93 108.01 6.5 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.908 -0.587 . . . . 74.02 110.298 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -52.98 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.676 1.19 . . . . 72.24 112.484 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -106.84 26.35 10.16 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.681 0.792 . . . . 74.43 111.237 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -128.92 21.39 5.86 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.05 0.94 . . . . 72.22 110.442 171.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 m -84.14 126.69 33.35 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.932 0.893 . . . . 62.24 111.658 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -106.53 148.96 27.62 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.629 0.772 . . . . 72.42 111.04 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.4 pmm? -125.62 3.74 7.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.189 0.995 . . . . 54.23 111.152 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -79.68 125.68 29.95 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.729 0.812 . . . . 54.14 112.246 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -172.42 128.43 0.55 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.23 1.012 . . . . 73.44 110.852 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.8 m -104.98 113.08 26.46 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.733 0.813 . . . . 65.52 110.794 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.0 p -79.34 126.08 30.34 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.817 0.847 . . . . 74.02 111.713 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -100.14 150.74 22.18 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.342 0.657 . . . . 64.13 111.015 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.62 119.85 18.42 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.431 -0.581 . . . . 73.14 109.431 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.74 89.94 1.38 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.621 0.769 . . . . 75.23 111.352 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.2 11.01 21.82 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.558 0.743 . . . . 54.33 112.09 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.79 90.24 3.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.141 0.576 . . . . 74.42 110.307 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.3 90.14 3.21 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.312 0.645 . . . . 72.44 110.368 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.3 p -82.77 177.92 8.43 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.551 0.74 . . . . 74.52 110.663 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -54.87 -42.37 71.95 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.427 0.691 . . . . 72.12 112.114 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.2 m-20 -76.25 -34.44 59.17 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.043 0.537 . . . . 63.42 112.296 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.47 -28.26 68.19 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.291 0.567 . . . . 71.41 111.101 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' THR . 79.1 mt -67.56 -43.79 79.78 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.608 -0.724 . . . . 61.24 111.66 172.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.7 ptp180 -66.77 -34.8 78.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 122.245 0.218 . . . . 75.13 110.801 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.33 98.2 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.3 0.64 . . . . 70.14 111.676 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.82 -36.01 79.9 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.714 0.806 . . . . 62.14 111.866 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.74 77.14 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.014 0.926 . . . . 64.44 113.235 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 64' ' ' LEU . 80.0 mt -108.73 9.26 27.03 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.34 0.656 . . . . 74.3 112.272 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.7 t60 57.61 59.03 3.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.444 1.098 . . . . 72.33 112.452 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.1 mm -69.84 128.1 92.07 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 109.212 -0.662 . . . . 75.44 109.212 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.23 -1.26 6.87 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.67 2.247 . . . . 73.44 114.086 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.597 ' H ' HG22 ' A' ' 33' ' ' ILE . 21.7 m-85 -128.03 155.7 77.4 Favored Pre-proline 0 CA--C 1.56 1.355 0 C-N-CA 124.307 1.043 . . . . 70.05 110.239 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.97 158.16 46.34 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.154 1.902 . . . . 64.11 112.429 165.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 68' ' ' ILE . 47.8 t -58.44 -40.73 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 C-N-CA 123.999 0.919 . . . . 63.42 112.001 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -51.18 -36.15 39.75 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.889 0.876 . . . . 74.22 111.966 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 87.8 tttt -78.57 -38.3 40.57 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.849 0.685 . . . . 63.14 112.849 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.58 -34.45 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 CA-C-N 118.962 0.801 . . . . 72.43 110.159 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.24 -30.86 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.552 0.741 . . . . 73.34 111.551 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -79.03 -22.43 45.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.898 0.479 . . . . 75.14 111.185 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.04 115.07 65.33 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.927 0.891 . . . . 64.0 109.989 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HG3' ' H ' ' A' ' 76' ' ' VAL . 13.7 Cg_exo -67.51 168.34 18.37 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.53 2.153 . . . . 55.13 112.257 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.443 HG22 ' HD2' ' A' ' 69' ' ' ARG . 58.5 t -60.84 -39.33 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 122.637 0.375 . . . . 51.14 111.441 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.7 -51.41 73.13 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.39 0 CA-C-O 121.239 0.543 . . . . 73.53 111.677 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.9 m-20 -76.21 -34.14 59.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.909 0.883 . . . . 71.34 112.272 -174.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -74.82 -38.17 62.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.359 0.664 . . . . 65.35 111.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.83 -28.32 67.46 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.649 0.38 . . . . 64.11 111.032 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -46.93 80.53 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.361 0.664 . . . . 73.51 109.475 171.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 tpt -58.58 -38.67 78.42 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.735 0.814 . . . . 53.02 111.594 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.0 ttt -72.02 -33.75 68.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.351 0.661 . . . . 71.01 111.815 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -59.79 -40.09 87.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.027 0.531 . . . . 73.04 110.757 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -72.99 -55.68 6.2 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.09 -0.504 . . . . 74.14 111.18 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -123.9 97.0 5.16 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.77 0.828 . . . . 75.42 110.722 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -73.48 136.63 44.19 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.771 0.828 . . . . 72.2 110.506 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -89.56 172.06 9.24 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.247 0.619 . . . . 72.22 110.399 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -70.02 156.96 38.39 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.973 0.509 . . . . 71.0 110.392 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.79 -40.52 76.07 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.466 0.706 . . . . 72.44 112.787 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.52 -36.42 68.32 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.67 0.788 . . . . 24.23 111.351 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.91 -46.54 84.35 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.063 0.545 . . . . 72.01 111.249 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.94 -41.46 96.31 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.861 0.865 . . . . 64.32 111.632 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -46.39 89.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.688 0.795 . . . . 41.42 111.246 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 31' ' ' LEU . 39.4 tp -63.5 -41.34 98.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.273 -0.876 . . . . 74.21 112.458 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -32.39 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 124.062 0.945 . . . . 32.43 111.738 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -67.14 -42.06 85.02 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.196 0.599 . . . . 71.22 110.927 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -68.21 -29.75 68.66 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.356 1.062 . . . . 73.44 111.479 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 37' ' ' VAL . 42.8 mt -74.66 -39.82 46.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.33 0 C-N-CA 124.017 0.927 . . . . 65.34 111.051 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HD2' HG22 ' A' ' 45' ' ' VAL . 58.6 ttp180 -73.06 -36.73 66.94 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.887 0.875 . . . . 72.11 112.698 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -23.69 67.47 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.819 0.448 . . . . 65.51 112.077 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.36 -35.66 79.83 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.963 0.905 . . . . 74.02 109.93 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 163.1 16.26 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 114.296 0.479 . . . . 65.11 114.296 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -139.52 14.49 2.55 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.961 0.904 . . . . 74.44 111.397 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.99 138.99 31.49 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.649 0.78 . . . . 71.13 111.444 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 117.18 19.27 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.485 0.714 . . . . 74.21 110.916 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.603 ' H ' ' HG3' ' A' ' 44' ' ' PRO . 92.4 t -75.33 -21.92 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.696 0.798 . . . . 75.11 110.654 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.92 82.38 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.903 0.881 . . . . 72.24 112.275 -176.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.42 6.48 4.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.689 1.196 . . . . 64.42 109.804 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -107.23 -177.87 3.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.719 1.208 . . . . 74.44 110.222 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.49 82.53 7.88 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.567 -0.901 . . . . 70.25 108.567 173.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -18.66 62.61 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 114.261 1.208 . . . . 63.21 114.261 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -71.75 -13.19 61.64 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.302 0.482 . . . . 75.43 112.302 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -66.75 117.54 9.03 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.421 -0.585 . . . . 72.54 109.421 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -64.69 97.84 0.23 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.384 0.673 . . . . 61.15 112.06 -172.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -121.53 167.81 12.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.601 1.16 . . . . 71.23 110.113 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.7 pp -141.46 132.0 25.4 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.239 0.616 . . . . 72.04 109.84 172.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -155.63 149.9 25.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 64.11 111.04 -173.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 74.55 -37.5 0.36 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.779 1.632 . . . . 35.33 112.922 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.502 HD11 ' HB2' ' A' ' 86' ' ' LEU . 34.6 pt -68.5 -1.77 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.706 1.202 . . . . 62.52 112.972 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 CA--C 1.576 1.975 0 C-N-CA 124.768 1.227 . . . . 72.03 113.001 171.021 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 120.699 0.285 . . . . 72.2 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.64 52.84 0.03 OUTLIER Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.198 -0.455 . . . . 52.51 112.703 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -78.55 81.17 4.89 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.103 0.954 . . . . 74.51 112.12 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -72.69 120.56 18.47 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.24 -0.891 . . . . 74.4 111.507 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -128.39 91.59 3.27 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.868 0.867 . . . . 70.51 109.855 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -147.74 108.03 4.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.922 0.889 . . . . 60.34 109.352 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -155.75 132.84 10.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.101 0.56 . . . . 72.1 111.022 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -77.17 97.0 4.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.14 0.576 . . . . 74.12 110.603 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -113.76 -76.58 0.58 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.476 0.71 . . . . 65.42 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.47 53.65 1.31 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.409 0.684 . . . . 61.52 110.434 -172.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ptm -66.82 -48.09 69.98 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.446 0.698 . . . . 62.03 112.087 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -85.95 85.15 7.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.782 0.801 . . . . 65.13 109.634 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -112.15 15.6 20.46 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.233 -0.894 . . . . 73.33 111.363 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -144.59 128.13 17.05 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.497 0.719 . . . . 74.23 111.207 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.7 p -139.39 123.59 17.98 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.437 1.095 . . . . 53.24 108.694 170.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -125.26 168.84 12.93 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 112.61 0.596 . . . . 75.24 112.61 -174.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.06 -174.65 4.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.898 -1.046 . . . . 65.41 111.03 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 71.99 -72.71 0.11 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.177 1.391 . . . . 72.22 113.792 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.03 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.359 1.464 . . . . 41.54 113.579 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -100.22 82.68 2.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.11 0.964 . . . . 70.25 110.299 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.7 mt 46.24 68.34 0.62 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.728 1.211 . . . . 75.25 113.532 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -70.3 175.23 4.81 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.539 0.736 . . . . 72.45 111.827 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -64.73 -33.98 77.25 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.085 0.469 . . . . 74.13 109.99 176.787 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 18.2 m-20 -68.27 -35.79 78.42 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.904 0.882 . . . . 72.25 111.981 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.84 -35.19 77.54 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.462 0.705 . . . . 65.4 111.109 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.53 -36.41 76.36 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.567 0.747 . . . . 71.13 111.747 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 77.2 mtp180 -67.89 -34.61 76.99 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.62 0.768 . . . . 65.12 110.668 174.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.99 78.68 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.804 0.842 . . . . 44.32 110.975 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.6 -44.56 96.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.761 0.824 . . . . 75.41 111.361 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.13 76.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.831 0.852 . . . . 53.41 112.162 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.04 -6.96 40.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.61 0.764 . . . . 75.41 112.186 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.8 m80 61.81 58.57 1.93 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.759 1.224 . . . . 75.44 112.078 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 65' ' ' ILE . 23.8 mm -87.71 120.11 70.85 Favored Pre-proline 0 CA--C 1.559 1.317 0 CA-C-N 115.401 -0.818 . . . . 54.31 109.589 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.65 -37.42 91.19 Favored 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 123.248 2.632 . . . . 73.43 114.092 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -101.64 139.54 20.46 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 123.881 0.872 . . . . 71.22 111.064 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.08 164.23 25.88 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.079 2.519 . . . . 55.54 113.118 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -60.74 -32.27 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.68 0.792 . . . . 71.55 111.437 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -52.97 -41.75 64.86 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 123.738 0.815 . . . . 70.24 111.554 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 mmpt? -73.97 -33.44 63.87 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.327 0.862 . . . . 71.02 113.327 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 37' ' ' VAL . 3.5 mp -58.56 -40.46 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 119.071 0.85 . . . . 73.25 110.172 173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.603 HD13 ' HB2' ' A' ' 73' ' ' LYS . 81.8 mt -77.57 -38.11 25.5 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 C-N-CA 123.67 0.788 . . . . 74.3 112.316 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -77.95 -40.46 39.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 112.956 0.725 . . . . 63.32 112.956 -173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.2 135.5 96.2 Favored Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 112.517 0.562 . . . . 73.44 112.517 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -70.76 150.72 62.55 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 123.285 2.657 . . . . 75.0 113.037 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.01 -53.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 114.084 1.142 . . . . 63.42 114.084 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 t -62.18 -54.45 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 111.822 0.304 . . . . 72.22 111.822 -174.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.69 -34.13 76.5 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.67 0.788 . . . . 75.31 111.615 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.69 -40.07 76.57 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 115.26 -0.882 . . . . 63.34 111.746 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.95 -35.33 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.925 0.49 . . . . 61.45 111.133 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 46' ' ' VAL . 30.2 mm-40 -65.76 -31.97 73.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.199 0.599 . . . . 55.11 111.763 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.8 ttm -67.96 -44.53 76.51 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.978 0.511 . . . . 74.01 110.877 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.85 -29.55 64.51 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.827 0.451 . . . . 72.43 112.091 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 t -70.02 -55.49 9.41 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.533 0.733 . . . . 34.11 111.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -74.94 -51.37 13.92 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.905 -1.043 . . . . 72.43 110.098 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.12 81.44 8.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.651 -0.87 . . . . 63.12 108.651 170.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.52 120.32 13.77 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.911 -0.586 . . . . 74.03 112.071 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 68.6 m-85 -98.52 162.7 13.01 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.579 0.751 . . . . 73.45 111.213 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -69.76 161.74 29.2 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.131 0.572 . . . . 72.32 111.315 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.47 -35.07 71.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.101 0.56 . . . . 75.41 112.199 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.6 76.42 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.786 0.834 . . . . 73.23 111.667 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 48.1 mt-30 -61.57 -51.08 70.04 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.279 0.631 . . . . 75.41 111.591 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 66' ' ' ARG . 99.1 mt -62.71 -28.16 69.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.197 0.999 . . . . 71.23 112.974 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.05 85.17 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.123 0.569 . . . . 72.15 112.258 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.5 tp -76.36 -53.89 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.029 0.531 . . . . 70.42 110.96 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 33' ' ' ILE . 79.9 mt -52.83 -54.49 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.647 1.179 . . . . 74.24 112.478 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD3' ' HB3' ' A' ' 62' ' ' LEU . 11.3 mtp180 -69.76 -35.46 74.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.081 0.952 . . . . 74.53 112.863 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.65 -34.93 70.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.153 0.581 . . . . 55.02 112.455 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG21 HG13 ' A' ' 37' ' ' VAL . 62.3 mt -70.42 -30.02 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.714 0.406 . . . . 63.04 110.178 171.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -72.41 -29.51 63.79 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.318 0.647 . . . . 72.45 111.711 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 39.1 mmt180 -63.96 -44.38 92.94 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.876 0.47 . . . . 74.12 111.614 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -75.24 -63.49 1.26 Allowed 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.092 0.557 . . . . 71.13 111.28 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.83 36.34 61.5 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 115.926 -0.579 . . . . 64.25 113.449 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.603 ' HB2' HD13 ' A' ' 41' ' ' ILE . 82.8 tttt 70.17 -60.57 0.48 Allowed 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 126.499 1.92 . . . . 64.23 113.209 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -76.22 151.25 36.9 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.671 0.789 . . . . 75.13 111.458 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.45 121.22 30.6 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 61.13 111.138 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.46 -30.67 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.285 0.634 . . . . 53.43 110.299 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.45 166.74 0.21 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.496 1.519 . . . . 64.05 113.342 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.01 92.87 9.4 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.426 0.69 . . . . 70.31 110.584 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -75.9 -52.39 10.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.871 0.468 . . . . 74.24 110.523 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -148.79 136.24 20.35 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.825 0.85 . . . . 64.31 109.619 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 69.2 m -133.43 -98.69 0.27 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 123.053 0.541 . . . . 63.04 111.209 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -142.48 154.67 44.74 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.879 0.872 . . . . 65.3 110.226 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -121.71 99.84 6.67 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.613 0.765 . . . . 71.4 110.418 177.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -76.92 91.1 3.55 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.365 0.602 . . . . 73.5 111.001 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -96.91 149.61 21.69 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.159 0.984 . . . . 73.31 110.74 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.83 126.54 29.37 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.917 -0.401 . . . . 74.04 109.917 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.85 -53.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.067 0.547 . . . . 62.02 111.048 -170.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -75.61 90.29 2.79 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.652 0.781 . . . . 62.13 110.719 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 tt -137.56 157.36 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 123.904 0.882 . . . . 72.2 110.075 -174.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 CA--C 1.577 2.019 0 C-N-CA 124.542 1.137 . . . . 73.42 112.798 -175.221 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 120.242 0.068 . . . . 64.34 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.29 31.5 19.38 Favored Glycine 0 N--CA 1.479 1.555 0 N-CA-C 113.772 0.269 . . . . 64.14 113.772 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -86.58 82.39 7.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.686 0.794 . . . . 71.44 110.48 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -95.0 -19.15 20.44 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.118 0.567 . . . . 64.4 111.226 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.98 85.12 7.22 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.102 0.477 . . . . 73.24 110.023 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -144.62 95.34 2.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.222 0.609 . . . . 65.33 111.509 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -175.19 149.61 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.735 1.214 . . . . 71.32 110.229 167.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -123.02 17.45 10.05 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.481 0.712 . . . . 74.44 112.323 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -74.27 81.78 1.85 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.197 0.599 . . . . 40.51 111.214 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -169.52 -20.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.34 1.056 . . . . 75.03 111.284 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.1 mtp -81.28 38.22 0.47 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.007 0.923 . . . . 75.15 112.858 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -77.69 92.69 4.16 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.872 0.844 . . . . 64.51 111.033 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.8 154.08 51.76 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.824 0.85 . . . . 74.34 110.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 t -124.4 93.44 3.91 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.584 0.754 . . . . 74.22 110.226 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.7 m -143.5 102.04 3.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.984 0.914 . . . . 71.03 109.221 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -73.43 92.07 1.82 Allowed 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 121.854 0.835 . . . . 65.43 111.359 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.1 133.36 35.27 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 108.436 -0.95 . . . . 64.52 108.436 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.85 152.78 44.96 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.08 132.92 46.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.439 0.695 . . . . 41.14 110.006 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.57 64.14 8.47 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.437 0.695 . . . . 62.11 109.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -53.9 89.8 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.272 1.212 . . . . 72.22 114.272 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 69.7 p -76.97 166.96 22.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.704 -1.134 . . . . 75.3 109.954 166.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.36 -23.24 67.22 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.482 0.313 . . . . 74.41 111.063 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.49 -35.12 79.95 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 123.278 0.631 . . . . 60.41 111.667 170.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 37' ' ' VAL . 35.3 mt-10 -76.38 -34.86 58.87 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.623 0.369 . . . . 42.35 111.764 173.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 22' ' ' THR . 85.5 mt -66.95 -42.64 84.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.282 0.633 . . . . 70.3 111.892 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -68.02 -30.45 69.69 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.268 0.627 . . . . 75.34 111.257 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -64.65 -31.39 72.59 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.719 0.808 . . . . 64.54 112.529 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.39 -31.65 72.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.259 0.623 . . . . 71.2 111.829 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.86 93.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.723 0.809 . . . . 73.52 112.601 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD12 HD22 ' A' ' 64' ' ' LEU . 82.3 mt -100.25 -2.03 34.83 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.459 0.704 . . . . 45.42 112.665 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 60.17 60.98 1.93 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.045 0.938 . . . . 73.44 111.734 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.14 122.88 85.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 122.891 0.476 . . . . 75.14 111.052 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -80.64 1.29 9.41 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.155 2.57 . . . . 64.32 114.896 -174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -114.61 155.43 46.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 C-N-CA 123.109 0.563 . . . . 74.12 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.05 131.61 44.5 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.015 1.81 . . . . 72.32 111.114 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 25' ' ' GLU . 79.7 t -62.22 -35.34 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.177 0.591 . . . . 62.42 111.512 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.24 -49.41 69.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.598 0.759 . . . . 70.11 111.288 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.11 -34.0 72.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.773 0.829 . . . . 70.31 111.841 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.86 -39.75 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 C-N-CA 122.917 0.487 . . . . 54.02 111.32 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.15 -29.32 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 123.062 0.545 . . . . 64.34 111.004 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.18 -39.94 18.76 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.506 0.722 . . . . 72.25 112.531 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.0 126.6 81.78 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 122.896 0.478 . . . . 65.14 111.24 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -62.92 149.71 90.68 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.661 2.241 . . . . 72.0 111.697 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.57 -43.28 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 123.41 0.684 . . . . 73.14 111.816 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.98 -45.64 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.512 0.725 . . . . 72.24 112.463 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -73.1 -33.8 65.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.395 0.678 . . . . 71.13 111.391 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.76 -35.14 80.11 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.842 0.857 . . . . 71.3 110.696 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.2 -28.32 69.67 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.358 1.063 . . . . 73.13 112.966 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.32 -43.19 78.11 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.258 0.552 . . . . 71.21 110.708 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.0 ttp -66.82 -34.48 77.91 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 70.3 110.997 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.1 -30.81 66.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.719 1.208 . . . . 71.03 111.593 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 t -65.29 -29.69 70.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.088 0.555 . . . . 72.52 111.131 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -85.83 -49.63 7.75 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.749 0.819 . . . . 75.35 109.594 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 101.91 12.73 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.998 0.919 . . . . 71.21 110.017 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -68.97 112.38 5.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.838 0.455 . . . . 75.11 112.169 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.47 148.51 25.43 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.479 0.712 . . . . 74.41 109.989 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -72.13 168.4 18.25 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.989 0.516 . . . . 54.45 111.967 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -48.02 82.41 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.89 1.07 . . . . 74.52 113.89 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.62 -29.45 56.49 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.097 0.559 . . . . 60.13 111.423 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -61.52 -42.11 98.32 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.804 0.842 . . . . 72.23 110.541 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.26 -33.25 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.001 0.92 . . . . 73.04 111.85 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.38 93.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.246 0.618 . . . . 75.35 111.788 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 28' ' ' ALA . 45.0 tp -69.06 -47.37 65.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.145 0.578 . . . . 74.32 111.764 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.9 -47.38 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.198 0.599 . . . . 74.34 110.69 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -66.35 -33.49 75.84 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.634 1.174 . . . . 73.01 111.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -44.09 72.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.341 0.656 . . . . 73.54 110.396 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 37' ' ' VAL . 84.1 mt -65.88 -34.47 70.49 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 124.35 1.06 . . . . 73.31 111.387 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.07 -38.32 88.35 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.927 0.891 . . . . 65.43 111.205 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -79.43 -22.48 44.15 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.528 0.731 . . . . 63.2 112.525 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.78 -64.59 0.82 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.824 0.45 . . . . 54.34 110.199 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.36 45.56 65.28 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.848 0.718 . . . . 61.45 113.707 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -76.95 -5.26 47.86 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.244 0.831 . . . . 72.42 113.244 -173.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -101.53 -2.46 30.55 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.888 0.475 . . . . 65.22 111.17 171.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -83.78 53.27 2.5 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.574 0.75 . . . . 72.4 110.461 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.48 -28.43 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.447 1.099 . . . . 75.04 112.846 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.25 120.03 32.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.823 0.849 . . . . 60.41 110.013 175.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.24 -9.59 58.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.25 0.62 . . . . 72.43 112.176 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 pm0 -119.54 144.47 47.04 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.488 1.115 . . . . 70.22 109.528 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.9 t30 61.48 133.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 114.949 1.463 . . . . 65.34 114.949 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.9 77.33 6.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.3 -0.63 . . . . 52.11 109.3 166.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -74.15 130.52 39.93 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.671 0.788 . . . . 60.05 111.423 -174.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 64.3 103.7 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.563 1.145 . . . . 72.23 111.54 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -69.52 99.43 1.26 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.042 0.537 . . . . 72.45 111.168 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -66.27 143.71 57.05 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.598 0.759 . . . . 74.43 111.059 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -64.18 146.82 53.63 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.803 0.841 . . . . 72.45 112.98 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -121.5 15.94 11.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.145 0.978 . . . . 74.54 110.937 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -67.49 92.24 0.3 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.216 1.006 . . . . 51.2 112.026 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.408 HG13 HG23 ' A' ' 90' ' ' VAL . 35.7 pt -95.57 -28.35 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.769 0.827 . . . . 75.44 111.006 174.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.408 HG23 HG13 ' A' ' 89' ' ' ILE . 84.6 t . . . . . 0 CA--C 1.56 1.365 0 C-N-CA 124.546 1.138 . . . . 75.52 109.734 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.669 -0.493 . . . . 72.15 109.669 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.25 -25.17 76.04 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 114.702 0.641 . . . . 41.21 114.702 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -95.75 148.47 22.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.213 0.605 . . . . 60.5 111.831 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.52 147.95 31.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.049 0.94 . . . . 62.32 112.875 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -160.35 131.73 5.82 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.141 0.976 . . . . 73.44 110.291 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -90.34 129.99 36.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.062 0.545 . . . . 64.41 110.669 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -104.43 17.14 24.7 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.057 0.943 . . . . 74.24 110.35 173.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -74.2 139.93 44.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.427 0.691 . . . . 75.01 111.432 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.7 m 64.14 22.45 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.555 1.142 . . . . 61.01 112.635 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -74.12 -20.51 60.23 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.061 0.944 . . . . 63.01 110.873 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.8 ptm -70.58 127.8 33.92 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.931 0.893 . . . . 75.2 112.132 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -162.81 -42.7 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.095 0.958 . . . . 65.01 110.815 171.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.4 t60 65.33 124.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.509 1.524 . . . . 64.2 113.306 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.7 p -84.79 131.66 34.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.856 0.462 . . . . 71.42 111.112 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -81.52 -23.56 37.21 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.174 0.511 . . . . 62.22 111.014 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -96.25 111.01 23.21 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.726 0.81 . . . . 72.42 110.389 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 21' ' ' LEU . 2.4 pt? -145.3 178.09 8.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.903 0.881 . . . . 74.11 111.034 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.5 -77.09 0.06 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.892 1.277 . . . . 72.43 113.232 176.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.15 102.14 0.06 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.43 1.492 . . . . 63.05 114.7 -168.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m170 60.91 11.42 3.27 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.21 1.404 . . . . 70.54 114.711 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 17' ' ' LEU . 54.0 mt -81.04 99.3 8.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.332 0.587 . . . . 72.42 111.399 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 p -74.19 178.5 5.05 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.464 1.105 . . . . 75.15 112.144 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -42.23 62.65 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.824 0.85 . . . . 74.33 111.821 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.9 m-20 -70.55 -38.46 74.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.661 0.784 . . . . 53.33 112.361 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.03 -33.04 73.62 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.126 0.57 . . . . 65.42 111.305 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -74.93 -30.0 61.12 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.295 0.638 . . . . 73.03 111.918 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 79.0 mtp180 -66.75 -45.47 78.48 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.311 0.644 . . . . 65.3 110.418 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.81 98.58 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.06 0.944 . . . . 71.54 111.301 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -56.83 -49.26 75.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.11 0.964 . . . . 65.14 111.912 173.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.65 88.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.855 0.862 . . . . 63.32 112.832 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.91 -4.0 33.9 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.402 0.519 . . . . 70.23 112.402 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 65.32 60.55 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.489 1.116 . . . . 60.02 112.599 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 35' ' ' PHE . 42.4 mm -80.0 129.04 71.74 Favored Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 123.449 0.7 . . . . 71.14 109.495 173.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.78 -10.59 26.66 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.536 2.157 . . . . 63.0 114.022 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.503 ' H ' HG22 ' A' ' 33' ' ' ILE . 49.4 m-85 -108.16 155.72 39.66 Favored Pre-proline 0 N--CA 1.485 1.322 0 C-N-CA 123.702 0.801 . . . . 44.01 110.995 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.87 153.62 58.54 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.833 1.689 . . . . 74.41 110.928 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 68' ' ' ILE . 46.2 t -57.57 -29.14 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 123.735 0.814 . . . . 73.21 112.848 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -49.29 -46.39 46.43 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.395 1.078 . . . . 73.11 112.021 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -41.64 93.03 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.244 0.617 . . . . 70.01 112.271 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.401 ' HA ' ' HE2' ' A' ' 48' ' ' PHE . 2.4 mp -73.67 -29.86 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.525 0 C-N-CA 122.768 0.427 . . . . 74.31 110.594 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.43 -46.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 123.418 0.687 . . . . 72.21 111.787 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -82.16 -53.09 6.36 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.392 0.677 . . . . 65.15 112.047 -170.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.43 120.02 40.98 Favored Pre-proline 0 N--CA 1.493 1.68 0 C-N-CA 122.973 0.509 . . . . 72.41 111.562 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.83 160.42 48.44 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.539 2.159 . . . . 62.04 112.844 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.03 -38.52 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.618 0.767 . . . . 75.34 112.726 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.58 -49.67 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 123.08 0.552 . . . . 74.12 111.635 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.53 -34.73 78.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.574 0.75 . . . . 73.31 111.638 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -72.85 -34.36 66.73 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.988 -0.551 . . . . 70.01 111.812 -175.4 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.08 -40.46 95.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.071 0.549 . . . . 64.43 110.991 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.54 -35.95 70.82 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.766 0.826 . . . . 74.04 111.528 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 tpp -66.69 -39.13 87.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.604 0.762 . . . . 62.41 111.169 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.4 ttp -71.65 -29.71 64.93 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.006 1.323 . . . . 72.32 111.251 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -63.74 -32.61 74.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.504 0.722 . . . . 65.05 111.72 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.36 -53.94 5.62 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.343 0.657 . . . . 64.33 110.967 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.69 87.66 4.76 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 70.42 109.255 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.99 95.81 0.98 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.425 0.69 . . . . 73.32 111.248 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -78.04 162.38 26.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.583 0.753 . . . . 74.23 112.027 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -84.01 159.99 21.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.69 0.796 . . . . 63.11 110.937 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.42 -38.15 58.39 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 114.301 1.223 . . . . 64.32 114.301 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.25 66.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.254 0.621 . . . . 75.55 111.534 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.21 -38.86 80.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.648 0.779 . . . . 62.33 111.585 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -37.04 81.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.654 0.782 . . . . 74.03 111.917 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.26 93.31 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.111 0.564 . . . . 64.43 111.747 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.77 -54.38 23.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.283 0.633 . . . . 73.51 111.926 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.9 mt -58.92 -38.64 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.961 0.904 . . . . 75.02 111.696 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -61.83 -41.97 98.45 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.578 0.751 . . . . 71.55 111.394 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.2 -55.31 22.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.41 0.684 . . . . 63.22 111.522 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.623 HG21 HG13 ' A' ' 37' ' ' VAL . 76.1 mt -67.17 -36.23 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.817 0.847 . . . . 64.15 112.18 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -63.93 -45.2 90.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.321 0.648 . . . . 75.33 110.71 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -71.5 -22.48 61.79 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 115.631 -0.713 . . . . 63.55 111.432 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -88.45 -10.03 50.49 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 72.2 110.696 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.39 72.92 1.88 Allowed Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.203 0.43 . . . . 73.12 114.17 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 60.28 -79.53 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 126.031 1.732 . . . . 64.32 113.45 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -96.92 11.3 36.42 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.932 0.893 . . . . 72.43 112.799 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 pttm 45.77 -76.79 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 126.175 1.79 . . . . 74.23 115.293 -176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.84 -77.67 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.767 0.827 . . . . 70.33 110.652 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.9 110.08 0.2 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.768 1.227 . . . . 73.32 109.708 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 69.36 163.42 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.015 1.326 . . . . 73.52 112.692 -174.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -141.38 8.0 1.98 Allowed 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.378 0.609 . . . . 74.41 111.044 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -103.63 154.12 19.86 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.933 0.893 . . . . 65.51 109.269 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.6 t 68.87 -74.47 0.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.072 1.349 . . . . 54.43 111.342 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 57.82 70.78 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.31 1.044 . . . . 74.34 112.306 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -73.62 110.12 7.66 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.547 -0.751 . . . . 74.43 110.136 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -72.47 91.25 1.37 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.258 0.552 . . . . 73.22 110.393 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -130.93 130.73 43.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.94 0.896 . . . . 61.23 108.839 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.74 175.02 7.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.855 0.462 . . . . 73.22 111.37 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 69.45 157.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.71 1.204 . . . . 74.04 111.943 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -80.97 67.47 6.89 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 121.137 0.494 . . . . 75.22 110.567 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.56 144.1 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.953 0.501 . . . . 70.21 111.114 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 CA--C 1.569 1.71 0 C-N-CA 123.222 0.609 . . . . 64.44 111.731 -174.368 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 120.452 0.167 . . . . 64.44 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.2 27.9 0.99 Allowed Glycine 0 N--CA 1.478 1.449 0 CA-C-O 119.622 -0.543 . . . . 70.02 113.724 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 38.14 74.33 0.09 Allowed 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 125.83 1.652 . . . . 72.43 114.413 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -107.97 148.74 29.28 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.584 0.754 . . . . 64.55 112.514 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.93 108.19 15.49 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.983 0.913 . . . . 72.32 110.015 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -141.54 101.06 3.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.601 0.761 . . . . 61.4 109.795 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -151.21 23.65 0.73 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 122.881 0.473 . . . . 71.31 110.635 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -74.62 95.8 2.88 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.139 0.575 . . . . 73.13 110.553 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -151.65 154.32 36.16 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.691 0.796 . . . . 74.13 110.405 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -71.47 134.87 46.87 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.421 0.688 . . . . 75.34 111.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.8 ttm -152.45 125.29 8.45 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 70.24 110.448 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.34 -175.59 5.32 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.336 0.654 . . . . 73.12 111.848 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -75.9 73.18 2.81 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 121.311 0.577 . . . . 64.33 110.764 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.5 m -147.65 88.24 1.68 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.11 0.964 . . . . 63.22 110.282 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -95.81 84.44 3.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.997 0.519 . . . . 64.42 109.942 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -144.78 120.56 10.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.186 0.594 . . . . 75.33 110.756 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -140.6 -165.68 1.98 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.197 0.999 . . . . 72.33 110.712 175.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -83.81 154.7 23.38 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.345 1.058 . . . . 72.22 112.459 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -176.66 6.25 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.47 0.708 . . . . 70.35 111.008 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 t60 68.1 21.23 8.77 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 124.462 1.105 . . . . 73.42 112.016 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt -74.31 96.52 2.84 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.844 -0.535 . . . . 73.2 111.063 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.0 p -75.97 178.54 6.19 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.051 0.94 . . . . 40.34 112.616 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.72 -39.96 82.34 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.466 0.65 . . . . 71.11 110.775 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.55 -29.94 67.63 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.382 -0.826 . . . . 74.34 112.311 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.64 -26.8 68.81 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 122.885 0.474 . . . . 62.31 112.033 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.41 -51.33 37.47 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 122.875 0.47 . . . . 61.32 111.146 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -73.57 -30.75 63.23 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.639 0.776 . . . . 75.01 112.131 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -69.85 -49.03 56.43 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.601 0.76 . . . . 71.04 111.049 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 2.8 ttmp? -68.47 -24.04 64.65 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.891 0.876 . . . . 70.24 111.281 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -44.45 68.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.495 0.718 . . . . 71.23 111.786 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD12 HD22 ' A' ' 64' ' ' LEU . 62.7 mt -83.52 -4.38 58.48 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 123.197 0.599 . . . . 73.22 111.949 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.13 58.75 0.55 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.19 1.396 . . . . 72.04 112.456 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' PHE . 36.6 mm -70.04 123.72 89.31 Favored Pre-proline 0 CA--C 1.565 1.533 0 C-N-CA 123.325 0.65 . . . . 63.1 109.559 170.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.72 -16.41 37.1 Favored 'Trans proline' 0 N--CA 1.506 2.24 0 C-N-CA 123.529 2.819 . . . . 74.13 114.839 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' ILE . 88.9 m-85 -115.43 164.86 15.8 Favored Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.156 0.983 . . . . 72.14 111.49 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.07 157.36 53.72 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.332 2.021 . . . . 75.12 111.983 160.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.38 -48.88 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 124.152 0.981 . . . . 73.32 112.916 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 47.2 tt0 -68.97 -17.16 63.9 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 112.525 0.565 . . . . 73.34 112.525 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.44 -38.31 87.11 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.903 0.481 . . . . 60.0 110.059 173.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' HG3' ' A' ' 69' ' ' ARG . 2.4 mp -73.01 -42.97 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.893 0.877 . . . . 74.2 110.044 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.501 HG23 ' HA2' ' A' ' 72' ' ' GLY . 68.2 mt -60.77 -41.85 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.818 0.847 . . . . 70.51 112.223 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -40.42 61.09 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 74.01 110.131 -169.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -73.21 115.56 42.07 Favored Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 123.453 0.701 . . . . 62.24 111.068 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.75 156.29 33.38 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.983 2.455 . . . . 74.34 112.116 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 78.2 t -56.77 -41.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 53.04 112.988 -171.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.12 -45.24 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.024 0.53 . . . . 64.42 111.294 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.05 -39.71 78.98 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.96 0.904 . . . . 71.22 112.349 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.71 -39.61 61.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 71.23 111.261 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 7.1 m-20 -69.52 -27.24 65.01 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 71.21 111.769 176.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.5 -46.02 84.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.373 0.669 . . . . 23.53 110.332 169.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.1 ttm -64.79 -46.13 83.37 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.562 0.745 . . . . 73.53 111.132 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.492 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 1.5 tmt? -63.47 -27.0 68.98 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.571 1.148 . . . . 75.31 112.652 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -62.8 -24.37 67.71 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.428 0.529 . . . . 74.41 112.428 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -111.52 -52.94 2.75 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.263 0.625 . . . . 63.33 110.441 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -91.02 77.5 6.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.641 0.776 . . . . 62.13 110.095 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -78.99 135.15 36.83 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.803 -0.635 . . . . 74.0 111.014 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -92.2 173.18 7.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.46 0.704 . . . . 75.31 109.985 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -70.22 155.21 40.96 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.479 0.312 . . . . 61.21 110.376 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.41 71.09 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.708 1.003 . . . . 65.31 113.708 -171.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.08 60.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.362 0.665 . . . . 73.43 111.752 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -62.84 -40.08 96.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.675 . . . . 72.21 111.329 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.37 -43.56 90.38 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.614 0.766 . . . . 73.22 111.422 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.7 87.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.684 0.794 . . . . 74.23 111.458 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 HD12 ' A' ' 31' ' ' LEU . 36.6 tp -65.25 -44.9 86.66 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.527 -0.76 . . . . 73.4 112.207 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 HG12 ' A' ' 40' ' ' ILE . 19.3 mt -57.77 -46.65 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.602 1.161 . . . . 60.11 112.574 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -64.17 -37.2 86.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.053 -0.522 . . . . 72.11 110.941 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.1 -43.86 94.08 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.283 0.633 . . . . 71.35 111.273 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -40.31 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 124.435 1.094 . . . . 60.24 111.548 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' NH1' ' HA ' ' A' ' 45' ' ' VAL . 85.8 mtm180 -72.95 -29.36 63.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.267 0.627 . . . . 74.44 112.393 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.59 -35.62 81.34 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.274 0.63 . . . . 61.44 111.266 171.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -59.79 3.87 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.267 0.627 . . . . 72.22 110.558 172.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.501 ' HA2' HG23 ' A' ' 41' ' ' ILE . . . 65.6 -160.86 43.6 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.69 -0.686 . . . . 73.42 112.895 -173.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -93.15 -71.68 0.64 Allowed 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.267 -0.549 . . . . 75.24 109.784 171.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -130.13 23.09 5.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.963 0.905 . . . . 74.0 109.702 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.53 161.3 19.35 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.073 0.949 . . . . 72.35 112.245 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.6 t -95.43 -48.22 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 124.032 0.933 . . . . 70.12 112.507 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.65 -178.43 0.22 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 125.303 1.441 . . . . 71.31 112.753 -173.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 65.98 15.79 10.21 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.748 1.219 . . . . 74.44 113.683 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -76.11 105.8 7.36 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.57 0.748 . . . . 63.32 111.084 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -87.01 129.73 34.76 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.922 0.489 . . . . 74.24 110.542 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.66 -170.92 2.34 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.694 0.798 . . . . 73.14 111.53 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -61.41 114.75 3.39 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 121.76 0.79 . . . . 75.24 112.874 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 11.4 mmpt? -101.23 32.63 3.19 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.292 1.037 . . . . 54.33 110.705 176.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -67.64 104.12 1.54 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.504 0.722 . . . . 61.31 112.255 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -127.39 125.0 39.89 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.39 0.676 . . . . 72.42 110.18 170.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 tt -75.27 -30.92 60.58 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.233 0.613 . . . . 71.42 109.84 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 104.84 0.26 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.984 0.914 . . . . 64.22 112.689 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -134.84 32.96 3.21 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.553 1.141 . . . . 65.41 108.982 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.4 tt -134.98 125.44 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.897 0.879 . . . . 63.11 110.638 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 CA--C 1.567 1.61 0 C-N-CA 123.304 0.642 . . . . 74.42 111.921 -179.469 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.501 2.102 0 N-CA-C 112.399 0.518 . . . . 74.3 112.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.89 78.26 1.55 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.022 0.344 . . . . 61.12 113.639 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -131.68 178.85 6.44 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.877 0.871 . . . . 74.15 110.39 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -74.72 86.9 2.18 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.472 0.653 . . . . 73.42 110.762 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -106.82 7.97 30.53 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 124.089 0.955 . . . . 71.02 110.434 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.05 102.89 11.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.822 0.849 . . . . 72.53 109.872 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -59.86 138.25 57.85 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.935 0.894 . . . . 73.14 113.278 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.63 108.15 14.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.089 0.956 . . . . 73.45 110.333 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -119.69 110.74 17.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 112.566 0.58 . . . . 55.22 112.566 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -115.09 130.58 56.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.887 0.875 . . . . 72.55 109.599 169.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt -135.1 93.44 3.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.428 0.691 . . . . 72.4 110.606 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -162.9 100.57 0.99 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.906 0.883 . . . . 71.02 110.216 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -149.62 32.55 0.71 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.867 0.867 . . . . 72.02 109.017 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.4 m -67.1 88.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.006 0.922 . . . . 74.35 111.553 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 m -83.33 71.61 10.24 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.53 0.732 . . . . 62.22 111.668 -174.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -97.18 -178.78 4.3 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.612 0.765 . . . . 72.42 110.488 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -98.13 111.14 23.57 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 108.578 -0.897 . . . . 75.4 108.578 170.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.41 96.51 0.11 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.614 0.765 . . . . 64.12 111.67 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.2 109.28 3.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.824 0.849 . . . . 64.3 110.169 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -140.87 7.86 2.08 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.951 0.901 . . . . 72.43 110.835 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -51.37 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 115.023 1.49 . . . . 71.24 115.023 -164.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -71.33 173.04 8.32 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 115.277 -0.874 . . . . 74.03 110.553 165.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -66.1 -23.78 66.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 122.083 -0.386 . . . . 74.1 112.036 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.88 -40.51 75.65 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.112 0.565 . . . . 62.51 111.058 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 34.5 mt-10 -72.0 -33.95 68.5 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.703 0.801 . . . . 71.45 112.744 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.86 -46.63 88.61 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.998 0.519 . . . . 74.45 111.846 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -73.73 -29.34 62.19 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.159 0.584 . . . . 75.22 112.036 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.44 91.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.592 0.357 . . . . 65.12 111.4 172.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 32.0 mmmt -70.63 -38.05 73.87 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.998 0.519 . . . . 72.44 111.105 176.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.522 0.729 . . . . 73.14 112.37 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 64' ' ' LEU . 85.8 mt -96.05 -0.55 50.26 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 113.149 0.796 . . . . 51.14 113.149 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.55 58.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.964 0.906 . . . . 71.05 112.459 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -79.4 114.41 44.93 Favored Pre-proline 0 CA--C 1.562 1.428 0 N-CA-C 109.13 -0.692 . . . . 74.31 109.13 170.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 -19.29 27.36 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.76 2.307 . . . . 44.12 114.135 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -93.75 159.78 34.0 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.604 0.762 . . . . 75.2 111.452 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.85 154.34 66.97 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.162 1.908 . . . . 73.53 111.066 161.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.88 -30.98 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 123.199 0.599 . . . . 63.55 111.483 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.66 -35.75 77.0 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.23 1.012 . . . . 71.21 111.777 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -61.39 -50.49 72.64 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.765 0.426 . . . . 73.13 111.48 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.94 -38.98 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.048 0.539 . . . . 60.42 110.562 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.31 -53.44 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 123.338 0.655 . . . . 75.43 111.152 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.94 -5.07 49.95 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.627 0.973 . . . . 73.2 113.627 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -112.99 95.65 35.18 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 123.206 0.602 . . . . 71.35 110.422 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.699 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 52.9 Cg_exo -57.11 153.72 37.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.445 2.096 . . . . 65.42 111.392 168.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -47.68 -41.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 C-N-CA 124.079 0.951 . . . . 71.21 113.472 -170.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.47 -42.24 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 123.313 0.645 . . . . 72.24 111.557 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.37 -30.22 61.88 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.986 0.914 . . . . 65.1 111.836 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -72.39 -34.4 67.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.946 0.899 . . . . 71.15 109.776 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 5.2 m-20 -62.62 -27.13 69.0 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.811 0.844 . . . . 73.11 112.563 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.49 -47.71 81.18 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.177 0.513 . . . . 73.54 110.554 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.6 tpt -69.45 -44.3 71.55 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.313 0.645 . . . . 74.32 111.451 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.552 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 23.7 ttt -65.75 -36.84 84.7 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 124.282 1.033 . . . . 70.23 113.169 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -58.25 -24.62 59.94 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.718 1.006 . . . . 65.44 113.718 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.09 -41.38 25.68 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 113.139 0.792 . . . . 72.4 113.139 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -132.16 -36.05 1.17 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 113.04 0.755 . . . . 75.14 113.04 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.04 172.79 0.23 Allowed 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 125.143 1.377 . . . . 75.01 113.286 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -127.55 171.29 11.75 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.381 1.072 . . . . 73.42 109.739 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -70.65 153.53 42.75 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 122.93 0.492 . . . . 60.22 110.954 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.93 -28.15 69.33 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.342 0.868 . . . . 75.11 113.342 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -71.4 -39.71 70.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.9 0.48 . . . . 45.11 111.424 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -63.14 -54.49 36.93 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.414 0.686 . . . . 74.44 110.879 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.99 -38.04 64.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.458 1.103 . . . . 62.24 112.748 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.94 -56.47 18.82 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 53.12 111.218 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.595 HD22 HD12 ' A' ' 31' ' ' LEU . 47.9 tp -60.73 -39.25 87.96 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.472 0.709 . . . . 74.43 112.9 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.43 -37.56 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.089 0.956 . . . . 62.15 111.28 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.99 -39.51 83.25 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.737 0.415 . . . . 73.13 111.854 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.93 -49.32 75.22 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.238 0.615 . . . . 75.45 111.654 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.46 -37.48 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.599 0.759 . . . . 62.52 111.668 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -72.06 -35.06 69.19 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.354 0.662 . . . . 71.23 110.768 178.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -71.37 -32.78 68.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.938 0.895 . . . . 72.15 111.321 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.9 -59.64 2.62 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.737 0.815 . . . . 74.12 109.611 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.88 87.46 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.987 -0.551 . . . . 62.43 111.931 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.79 12.32 4.94 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.792 1.034 . . . . 75.21 113.792 -171.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 55.5 47.58 20.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.265 0.626 . . . . 70.03 109.864 -163.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 87.3 tttt 69.81 142.5 0.05 OUTLIER 'General case' 0 C--N 1.368 1.382 0 C-N-CA 124.936 1.294 . . . . 63.41 110.951 -169.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.11 -41.03 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.116 0.484 . . . . 73.22 110.911 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . . . -83.74 80.65 9.06 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 109.131 -0.692 . . . . 74.23 109.131 164.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.09 109.51 3.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.475 0.71 . . . . 51.45 111.955 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -99.19 152.51 19.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.283 0.633 . . . . 64.12 111.358 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.72 -6.73 59.09 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.322 0.649 . . . . 72.12 111.865 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.62 135.07 50.87 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.744 0.817 . . . . 72.22 112.493 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -133.62 125.81 29.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.323 1.049 . . . . 73.54 110.212 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -87.62 122.68 31.62 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.664 0.785 . . . . 73.3 109.517 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -167.66 130.58 1.64 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.331 0.652 . . . . 62.32 111.039 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.83 144.03 27.94 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.837 0.455 . . . . 74.34 110.703 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -103.65 170.59 7.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.557 0.743 . . . . 62.1 111.299 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -143.76 134.59 25.25 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.526 0.73 . . . . 74.44 110.382 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -150.24 173.35 14.05 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.195 0.598 . . . . 74.35 110.103 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 89' ' ' ILE . 3.3 mp -62.1 -32.96 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 124.628 1.171 . . . . 73.55 110.627 176.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 CA--C 1.572 1.826 0 C-N-CA 124.249 1.019 . . . . 74.44 110.25 171.543 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.8 -0.444 . . . . 72.23 109.8 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.72 -112.61 4.77 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 114.902 0.721 . . . . 62.31 114.902 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 63.36 89.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.163 1.385 . . . . 74.53 112.734 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -129.74 136.16 49.32 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.324 1.05 . . . . 65.32 109.986 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -97.89 -72.54 0.64 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.794 0.437 . . . . 75.15 111.272 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 57.22 92.72 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.712 1.205 . . . . 75.12 110.887 -169.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -62.18 95.86 0.07 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.488 0.715 . . . . 73.52 111.079 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -76.81 85.9 3.4 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.386 0.612 . . . . 71.23 110.097 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -68.88 146.62 52.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.212 -0.904 . . . . 73.13 111.561 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -151.94 14.93 0.64 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.24 0.616 . . . . 75.23 112.341 -171.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.5 mpt? -70.98 -16.15 62.62 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.562 0.745 . . . . 54.24 112.827 -171.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -106.62 138.31 43.02 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.834 0.853 . . . . 34.33 110.333 175.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -148.96 130.9 15.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.377 0.671 . . . . 71.24 111.245 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.0 p -116.2 88.39 2.88 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.09 0.956 . . . . 74.31 108.547 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 m -81.1 71.53 8.09 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.429 -0.805 . . . . 63.04 113.134 -165.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.61 118.6 0.85 Allowed 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.516 0.726 . . . . 73.22 111.038 171.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -148.56 104.11 3.46 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 108.341 -0.985 . . . . 60.44 108.341 167.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 58.09 23.55 10.22 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.165 0.586 . . . . 52.03 112.47 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.75 86.02 2.76 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.754 0.822 . . . . 62.41 111.1 -175.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -160.45 68.15 0.36 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.268 0.627 . . . . 73.22 110.499 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt 52.78 67.05 1.05 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.952 1.301 . . . . 75.23 113.409 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.552 HG22 ' HG2' ' A' ' 25' ' ' GLU . 15.4 t -81.52 178.25 8.47 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.872 0.469 . . . . 64.01 111.131 172.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 26' ' ' LEU . 89.4 mtt180 -56.79 -36.1 69.49 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.41 0.624 . . . . 63.15 111.4 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.2 m-20 -69.48 -37.51 77.3 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.037 -0.983 . . . . 70.13 112.307 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG2' HG22 ' A' ' 22' ' ' THR . 65.7 mm-40 -66.12 -31.73 72.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 122.148 -0.345 . . . . 71.34 111.439 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' ARG . 82.0 mt -65.13 -50.54 65.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.575 0.75 . . . . 72.01 111.623 177.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.51 -30.39 68.23 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.164 0.586 . . . . 63.32 111.881 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.21 0.604 . . . . 72.25 111.405 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.66 -41.51 92.44 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.188 0.595 . . . . 65.5 111.069 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.89 94.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.739 0.816 . . . . 72.15 112.507 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 64' ' ' LEU . 93.5 mt -90.35 -11.96 39.09 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.086 0.554 . . . . 65.43 112.172 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m80 69.22 58.89 0.34 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.97 1.308 . . . . 52.55 113.015 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 12.9 mm -78.06 126.65 83.38 Favored Pre-proline 0 CA--C 1.567 1.631 0 N-CA-C 109.637 -0.505 . . . . 61.24 109.637 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -56.06 -20.9 32.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.525 2.817 . . . . 70.2 115.406 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -128.3 147.24 62.83 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 123.828 0.851 . . . . 74.34 110.804 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.9 162.37 42.39 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.708 2.272 . . . . 61.14 112.69 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 24' ' ' ASP . 88.2 t -61.53 -31.8 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.624 0.77 . . . . 70.54 112.37 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.59 -47.22 49.57 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.878 0.471 . . . . 74.24 110.862 168.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -69.11 -36.61 77.71 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 113.261 0.837 . . . . 75.13 113.261 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 33' ' ' ILE . 3.5 mp -59.14 -34.51 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 CA-C-N 119.022 0.828 . . . . 74.22 110.998 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -83.72 -46.13 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.369 0 C-N-CA 123.124 0.57 . . . . 73.22 111.713 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -76.81 -39.17 52.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.544 0.737 . . . . 62.13 112.647 -166.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.92 110.85 3.33 Favored Pre-proline 0 CA--C 1.56 1.35 0 C-N-CA 123.35 0.66 . . . . 74.12 110.788 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.42 157.84 48.4 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.912 2.408 . . . . 64.43 113.169 -175.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.14 -49.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.827 1.251 . . . . 74.33 114.124 -169.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.62 -58.65 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.496 0.318 . . . . 73.11 111.603 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.87 -35.7 71.33 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.907 0.883 . . . . 72.45 112.847 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.31 -56.23 5.12 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.646 1.178 . . . . 74.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.56 -29.49 65.95 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.848 0.685 . . . . 74.01 112.848 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -25.82 60.73 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.067 0.547 . . . . 74.5 112.086 173.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -74.29 -42.79 58.95 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.6 0.714 . . . . 62.51 110.489 172.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 65' ' ' ILE . 50.7 mtm -78.19 -8.7 58.63 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 113.861 1.06 . . . . 64.53 113.861 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -53.29 -42.08 66.25 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 114.783 1.401 . . . . 74.04 114.783 -167.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.12 -32.31 70.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.169 0.587 . . . . 73.33 112.012 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.94 82.67 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.345 1.458 . . . . 73.24 112.916 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.64 9.18 30.74 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.445 0.698 . . . . 62.13 110.877 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.61 166.46 15.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.39 1.076 . . . . 74.24 111.183 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -95.13 169.38 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.257 0.623 . . . . 42.31 111.195 172.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -39.32 66.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.935 0.894 . . . . 64.51 113.185 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.33 -34.39 61.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.524 0.73 . . . . 73.42 111.711 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.54 -47.44 75.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.437 0.695 . . . . 74.02 111.482 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.1 -48.79 80.32 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.201 0.6 . . . . 60.34 110.89 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.14 71.22 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.537 0.735 . . . . 42.34 112.453 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 31' ' ' LEU . 28.9 tp -66.93 -42.05 86.01 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.91 0.484 . . . . 71.34 111.985 177.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.544 HD13 ' SD ' ' A' ' 52' ' ' MET . 88.0 mt -54.28 -48.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.844 0.858 . . . . 72.02 111.806 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.8 -36.01 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.27 0.628 . . . . 74.22 111.102 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.23 -43.99 95.58 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.411 1.084 . . . . 75.13 111.494 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD13 HG13 ' A' ' 37' ' ' VAL . 70.9 mt -68.51 -44.91 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.87 0.868 . . . . 74.12 111.16 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -56.16 -27.08 52.97 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.493 1.117 . . . . 72.25 113.908 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -57.43 -43.87 84.19 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 122.543 0.337 . . . . 64.13 111.587 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -22.59 21.96 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.134 0.574 . . . . 72.23 111.232 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.83 51.55 4.31 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 114.218 0.447 . . . . 74.32 114.218 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -113.97 -21.34 10.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.991 1.316 . . . . 73.31 110.705 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.56 134.14 42.19 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.222 1.009 . . . . 71.12 112.12 -175.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -79.66 155.92 27.83 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.503 0.721 . . . . 62.43 112.042 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.21 -63.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.023 0.529 . . . . 73.33 110.809 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 57.05 80.1 0.17 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.575 1.15 . . . . 70.33 111.669 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.37 94.39 2.05 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.443 0.697 . . . . 72.45 112.37 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -146.66 149.56 33.71 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.703 1.201 . . . . 73.44 108.73 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.13 108.01 1.43 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.212 0.605 . . . . 61.1 111.867 -174.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 86.1 m -88.34 143.77 26.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.703 0.801 . . . . 71.54 111.642 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -87.67 -176.23 5.46 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.623 0.769 . . . . 74.03 111.772 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -69.21 86.67 0.4 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.544 0.738 . . . . 73.24 110.576 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.93 98.36 5.31 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.468 0.707 . . . . 54.33 111.875 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -81.39 116.57 21.28 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 108.99 -0.744 . . . . 74.53 108.99 162.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.02 79.04 2.2 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 109.222 -0.659 . . . . 72.34 109.222 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 59.42 -175.84 0.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.913 1.285 . . . . 73.11 111.897 -170.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -139.85 162.43 35.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.533 0.733 . . . . 74.52 111.076 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 mp 67.62 123.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 124.837 1.255 . . . . 70.4 112.032 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 CA--C 1.567 1.604 0 C-N-CA 123.665 0.786 . . . . 71.1 111.118 176.224 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 mtt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 110.52 -0.178 . . . . 75.41 110.52 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.79 93.78 0.11 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 113.849 0.3 . . . . 30.31 113.849 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -109.33 140.15 43.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.426 0.69 . . . . 52.1 110.565 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -141.12 160.07 40.87 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.712 0.805 . . . . 74.3 111.229 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -151.18 141.66 22.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.778 0.831 . . . . 73.33 110.225 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.86 133.39 45.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.541 0.736 . . . . 73.54 109.699 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -136.76 175.71 9.36 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.441 0.639 . . . . 61.45 112.168 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -151.72 130.09 12.08 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.642 1.177 . . . . 60.42 109.471 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -127.83 -60.64 1.15 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.996 0.518 . . . . 74.53 112.338 -169.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -71.14 88.74 0.82 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.335 0.654 . . . . 62.42 111.893 -174.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.2 mmt -95.01 78.17 3.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.61 0.764 . . . . 71.14 110.081 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -129.69 174.11 10.0 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.163 0.985 . . . . 61.24 111.331 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -90.9 -47.68 7.46 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 109.032 -0.729 . . . . 73.53 109.032 165.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 t -166.35 142.12 4.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.079 0.951 . . . . 74.52 111.054 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.1 m -153.05 104.37 2.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.879 0.872 . . . . 72.22 110.875 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.27 89.24 7.79 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.932 0.493 . . . . 64.14 111.263 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -147.98 163.86 35.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.688 0.795 . . . . 71.24 110.116 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.92 108.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.108 0.963 . . . . 72.24 111.655 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.11 -54.64 7.37 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.24 0.616 . . . . 61.13 112.19 -176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -170.01 10.52 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 123.063 0.545 . . . . 75.23 111.643 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt 58.6 58.82 3.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.433 1.111 . . . . 74.33 110.724 -165.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.8 p -80.75 179.02 8.0 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 113.756 -1.565 . . . . 54.32 109.759 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -51.37 -42.7 61.52 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.529 0.937 . . . . 75.15 113.529 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.26 -44.94 88.59 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.437 0.637 . . . . 62.41 111.58 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.24 -29.24 62.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.424 1.09 . . . . 54.21 112.249 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 22' ' ' THR . 84.6 mt -71.39 -34.94 70.84 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.516 0.727 . . . . 52.43 110.81 177.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -71.57 -40.6 69.84 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.785 0.834 . . . . 73.54 110.6 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.14 98.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.451 0.7 . . . . 62.04 111.068 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.59 -33.3 73.81 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.047 0.539 . . . . 74.23 111.167 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.99 97.83 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.704 0.801 . . . . 74.55 112.448 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -103.49 11.03 36.88 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.199 0.6 . . . . 74.53 112.482 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 57.57 55.73 5.43 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.707 1.203 . . . . 74.32 112.882 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.69 120.59 80.62 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.094 0.558 . . . . 72.15 109.697 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.94 -23.6 29.79 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.541 2.16 . . . . 72.44 113.141 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.0 152.32 55.99 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 123.37 0.668 . . . . 72.44 110.761 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.41 165.33 32.99 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 121.704 1.603 . . . . 75.32 111.373 163.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 68' ' ' ILE . 59.1 t -60.94 -37.46 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.267 0.627 . . . . 73.23 110.709 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.23 -48.78 80.33 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 124.583 1.153 . . . . 72.05 111.202 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE3' HD11 ' A' ' 43' ' ' LEU . 60.3 tptt -54.99 -54.99 35.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.225 1.01 . . . . 74.33 112.671 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 65' ' ' ILE . 92.3 mt -59.35 -36.99 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.792 0.837 . . . . 70.43 112.207 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.61 -46.37 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 122.793 0.437 . . . . 63.31 111.427 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -76.03 -15.62 60.1 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.786 0.661 . . . . 71.22 112.786 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD11 ' HE3' ' A' ' 39' ' ' LYS . 75.5 mt -79.54 115.81 56.14 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 122.923 0.489 . . . . 65.04 111.27 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.8 156.94 63.71 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 122.927 2.418 . . . . 60.32 112.051 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.82 -47.64 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.752 0.821 . . . . 64.01 113.033 -169.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -46.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 122.804 0.442 . . . . 73.31 111.763 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 -42.28 98.71 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.921 0.888 . . . . 73.21 111.707 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.74 -36.02 65.12 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.184 -0.916 . . . . 73.04 112.119 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -67.0 -39.52 87.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.13 0.572 . . . . 71.33 110.649 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' HE3' ' A' ' 54' ' ' LYS . 33.4 tt0 -64.64 -39.49 93.8 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.024 -0.534 . . . . 71.43 110.322 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.66 -45.61 89.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.793 0.837 . . . . 51.54 112.134 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -75.18 -16.96 60.47 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 112.253 0.464 . . . . 62.21 112.253 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.6 m -82.21 -16.45 49.61 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.75 0.42 . . . . 73.34 111.825 173.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' HE3' ' HG2' ' A' ' 50' ' ' GLU . 94.9 mttt -92.05 -48.38 6.77 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.575 0.75 . . . . 74.15 110.18 172.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -128.4 97.17 4.64 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.476 1.11 . . . . 73.42 109.252 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.8 156.07 19.17 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.564 0.579 . . . . 73.54 112.564 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -126.17 177.05 6.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.665 0.786 . . . . 75.13 110.578 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.482 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 24.9 t-20 -69.76 155.45 40.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.308 0.643 . . . . 74.2 111.614 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.92 -38.95 83.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.907 0.883 . . . . 62.42 112.704 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.23 80.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.377 0.671 . . . . 61.23 111.617 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 45.3 mt-30 -64.58 -49.98 69.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.96 0.504 . . . . 65.43 110.797 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 88.6 mt -61.79 -32.95 73.27 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.914 0.885 . . . . 75.24 111.779 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.37 88.29 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.279 0.632 . . . . 73.54 111.634 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.8 -45.21 94.85 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.164 0.586 . . . . 64.41 111.594 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 40' ' ' ILE . 62.3 mt -54.12 -42.1 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.42 1.088 . . . . 75.52 112.301 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 61.4 mtt180 -58.04 -42.45 85.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.254 0.622 . . . . 54.23 111.075 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.46 -39.77 85.35 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.036 0.535 . . . . 62.12 111.136 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 HG13 ' A' ' 37' ' ' VAL . 81.0 mt -61.87 -43.12 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.755 0.822 . . . . 75.2 111.054 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -59.57 -43.42 93.63 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.868 0.867 . . . . 73.23 111.634 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.85 -22.21 56.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.719 0.808 . . . . 75.21 112.08 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -66.6 -40.89 89.09 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.104 0.962 . . . . 75.41 111.154 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.9 87.88 1.57 Allowed Glycine 0 CA--C 1.534 1.238 0 CA-C-N 116.39 -0.368 . . . . 72.24 112.233 174.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -80.14 19.02 0.77 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.495 1.294 . . . . 71.42 114.495 -174.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 61.65 38.1 15.54 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.895 0.878 . . . . 73.42 111.956 172.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.77 117.69 6.18 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.727 0.811 . . . . 73.44 111.64 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t 71.17 -16.23 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.022 0 C-N-CA 125.582 1.553 . . . . 64.13 112.678 -175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.22 139.19 50.02 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.562 0.745 . . . . 61.42 111.856 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.85 28.05 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.601 1.16 . . . . 55.23 111.823 -171.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.04 73.4 0.48 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.978 1.311 . . . . 73.25 110.65 -173.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -103.69 100.29 10.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.427 -0.806 . . . . 73.21 110.497 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t 67.28 167.75 0.24 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.135 1.374 . . . . 71.13 113.405 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -88.23 -171.49 3.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.624 0.769 . . . . 74.24 111.334 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -133.84 159.49 40.49 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.299 0.571 . . . . 71.14 111.851 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -85.89 -173.23 4.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.877 0.871 . . . . 74.54 111.026 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -113.85 153.62 28.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.714 0.806 . . . . 70.0 109.379 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.4 pt? -121.25 80.82 1.7 Allowed 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.405 0.621 . . . . 61.1 109.718 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.35 108.29 1.29 Allowed 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.69 0.757 . . . . 72.34 111.499 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -94.32 43.59 1.1 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.159 0.983 . . . . 60.41 111.569 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 tt -64.05 -36.62 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 124.189 0.996 . . . . 70.42 112.351 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 CA--C 1.575 1.916 0 C-N-CA 125.095 1.358 . . . . 61.22 112.013 -176.596 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.81 0.338 . . . . 65.55 110.606 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.45 -172.68 38.14 Favored Glycine 0 C--N 1.353 1.524 0 N-CA-C 114.836 0.695 . . . . 71.01 114.836 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -147.91 132.34 17.63 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.912 0.885 . . . . 73.42 110.027 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -107.04 120.37 41.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.636 0.775 . . . . 64.31 111.244 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -167.78 -24.14 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.383 1.073 . . . . 74.45 110.646 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.96 134.72 33.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.636 1.174 . . . . 74.12 111.699 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -100.52 154.14 18.8 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 122.762 0.425 . . . . 61.34 110.927 172.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -123.26 160.23 27.07 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.455 0.702 . . . . 73.02 111.24 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.1 p -141.18 -160.62 1.1 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.039 0.936 . . . . 71.02 110.878 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 74.76 128.35 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 125.437 1.495 . . . . 73.54 112.613 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.8 tpt -148.16 135.49 20.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.012 0.525 . . . . 62.5 110.68 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -147.56 134.09 19.79 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.702 0.801 . . . . 74.05 110.666 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -163.32 95.69 0.85 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.883 0.873 . . . . 74.3 109.891 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.8 t -105.94 106.55 17.11 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.308 0.643 . . . . 75.42 110.227 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 m -75.95 86.4 2.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.293 0.637 . . . . 52.44 110.538 176.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.23 20.87 8.6 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.7 0.8 . . . . 75.12 112.172 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 18' ' ' GLU . 1.1 tm? -111.08 143.8 41.23 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 108.433 -0.951 . . . . 72.44 108.433 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' HD13 ' A' ' 17' ' ' LEU . 42.8 mt-10 -60.53 95.39 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.75 0.82 . . . . 50.45 112.741 -174.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.1 136.74 16.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.477 1.111 . . . . 74.42 110.39 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 56.22 35.71 26.22 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.27 1.028 . . . . 74.24 112.927 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.45 87.5 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.386 0.612 . . . . 65.2 111.667 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 p -83.59 176.03 9.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 63.4 110.8 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.84 -27.18 67.89 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 122.915 0.486 . . . . 71.23 112.234 175.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.9 m-20 -73.36 -47.67 40.39 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.647 0.779 . . . . 45.13 110.651 173.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.13 -33.33 73.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.918 0.487 . . . . 44.45 111.707 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.09 72.93 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.353 0.661 . . . . 45.24 112.348 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.2 ptp180 -72.4 -33.5 67.21 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.864 0.302 . . . . 62.02 110.628 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.64 78.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.367 0.667 . . . . 54.11 110.827 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -59.68 -32.03 70.11 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.531 1.132 . . . . 71.32 112.127 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.66 92.27 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.555 0.742 . . . . 54.2 112.451 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.97 9.6 42.36 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.959 0.504 . . . . 72.15 112.28 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.69 49.37 3.0 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.993 0.917 . . . . 61.21 112.752 168.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 35' ' ' PHE . 38.7 mm -70.58 123.2 88.65 Favored Pre-proline 0 CA--C 1.564 1.482 0 C-N-CA 123.188 0.595 . . . . 72.34 110.112 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.29 -9.43 10.6 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.511 2.807 . . . . 60.42 115.373 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' H ' HG22 ' A' ' 33' ' ' ILE . 64.8 m-85 -124.34 155.43 68.49 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.992 0.917 . . . . 71.54 111.364 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.22 161.85 41.13 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.768 2.312 . . . . 51.33 113.102 168.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 68' ' ' ILE . 33.9 t -64.6 -42.84 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 123.404 0.682 . . . . 62.12 110.993 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -47.3 -37.24 10.46 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.632 1.173 . . . . 73.13 112.081 171.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.64 -55.33 13.71 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.314 0.646 . . . . 71.55 112.362 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.39 -37.83 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 C-N-CA 123.114 0.566 . . . . 72.22 111.703 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.82 -39.86 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.126 0.571 . . . . 75.21 112.287 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -90.97 -4.25 56.62 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.383 0.512 . . . . 65.5 112.383 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.25 112.4 47.64 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.422 0.689 . . . . 73.51 110.508 168.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.82 154.87 73.07 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.649 2.233 . . . . 74.14 111.831 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.79 -48.16 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 C-N-CA 123.72 0.808 . . . . 53.12 113.091 -170.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.65 -39.47 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.333 0 C-N-CA 123.008 0.523 . . . . 55.14 111.973 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.75 -37.19 59.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.511 0.725 . . . . 72.15 112.153 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -72.79 -42.39 63.95 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.728 -0.214 . . . . 74.34 110.959 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -65.18 -28.45 69.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.237 0.615 . . . . 71.53 111.413 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -63.78 -49.21 73.83 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.491 0.716 . . . . 75.44 109.509 170.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -63.16 -40.53 97.82 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.926 1.29 . . . . 64.2 111.849 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -75.7 -29.94 59.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.346 1.459 . . . . 75.34 111.391 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 t -76.52 -33.71 58.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.332 0.653 . . . . 74.54 111.361 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -68.36 -53.63 22.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.769 0.828 . . . . 72.23 111.649 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -117.54 93.38 4.14 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.966 0.906 . . . . 73.42 109.006 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.79 124.74 28.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.995 -1.002 . . . . 72.15 112.461 -170.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -87.54 170.74 11.06 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.868 0.867 . . . . 71.2 110.85 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -72.66 154.1 40.89 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.023 0.529 . . . . 62.21 110.511 172.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.95 -32.15 73.48 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.078 0.77 . . . . 61.05 113.078 -173.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.9 86.96 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.361 0.664 . . . . 63.12 111.201 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.59 -43.37 98.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 115.764 -0.653 . . . . 64.41 110.873 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.33 -46.28 90.45 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.613 0.765 . . . . 62.53 111.865 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.36 73.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.767 0.827 . . . . 73.51 112.101 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 tp -69.14 -47.87 63.88 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.876 -0.602 . . . . 74.31 112.205 175.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.86 -32.82 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.499 0.719 . . . . 65.14 111.469 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.69 -46.5 88.87 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.323 0.649 . . . . 63.11 110.931 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.29 -43.93 92.53 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.317 0.647 . . . . 52.52 111.712 175.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.752 HG23 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -58.79 -46.91 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 124.265 1.026 . . . . 73.3 111.877 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -39.7 68.23 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.501 0.721 . . . . 73.43 110.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -64.86 -30.07 71.05 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.748 0.819 . . . . 72.04 112.603 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -84.4 -24.89 29.43 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.921 0.489 . . . . 75.33 111.549 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.81 70.22 2.31 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 121.182 0.323 . . . . 74.52 112.367 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -91.04 12.15 20.72 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.117 0.967 . . . . 71.54 113.08 -173.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -68.85 131.93 45.93 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.015 0.526 . . . . 62.22 110.507 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -74.53 76.71 1.96 Allowed 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 122.106 0.955 . . . . 72.11 111.616 -176.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.94 -30.77 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.705 0.802 . . . . 74.1 111.784 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.75 110.59 21.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.6 0.76 . . . . 72.54 110.74 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.02 141.18 48.35 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.721 0.808 . . . . 62.52 111.256 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -64.61 -21.39 66.7 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.009 0.923 . . . . 74.13 112.789 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -64.1 124.26 21.17 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.706 0.802 . . . . 73.43 111.279 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.6 p -77.16 116.43 17.79 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.462 0.305 . . . . 54.24 110.296 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.76 116.03 2.49 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.358 0.663 . . . . 74.55 112.107 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -80.43 165.93 21.74 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.015 0.526 . . . . 74.2 111.663 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.05 29.76 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.66 0.384 . . . . 64.43 111.21 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.3 95.85 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.955 -0.387 . . . . 75.44 109.955 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.57 89.28 0.36 Allowed 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 121.533 0.682 . . . . 63.25 110.329 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.87 132.82 54.29 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 114.331 -1.304 . . . . 73.25 112.336 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -102.67 140.19 37.27 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.576 0.751 . . . . 64.1 111.777 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.5 pt -82.5 175.16 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 123.595 0.758 . . . . 72.21 111.604 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 CA--C 1.567 1.622 0 C-N-CA 123.22 0.608 . . . . 73.1 110.397 175.81 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 112.156 0.428 . . . . 72.42 112.156 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.92 164.23 48.2 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 113.757 0.263 . . . . 75.04 113.757 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -70.81 135.79 48.35 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.145 0.578 . . . . 74.15 111.931 -176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -145.37 131.68 19.58 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.782 0.833 . . . . 63.01 111.505 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.15 79.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 121.899 0.857 . . . . 75.11 111.996 172.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -141.18 115.86 9.63 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.702 0.801 . . . . 75.1 110.555 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -136.43 25.82 3.17 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.838 0.855 . . . . 70.03 110.155 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -76.37 176.93 7.73 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.693 0.797 . . . . 61.41 112.504 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -81.62 135.73 35.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.247 0.619 . . . . 44.51 111.873 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -90.18 83.32 6.01 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.043 0.925 . . . . 54.52 110.386 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.3 mtp -113.13 128.36 56.46 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.486 0.714 . . . . 71.23 112.041 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -92.3 122.79 35.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.823 0.849 . . . . 71.44 109.356 170.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -83.74 -55.89 4.01 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.747 0.419 . . . . 70.03 111.915 -174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.6 p -152.95 152.81 31.87 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 71.05 112.063 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 m -119.86 73.21 0.96 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.749 1.219 . . . . 71.51 108.54 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' H ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.96 85.12 0.98 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.904 0.859 . . . . 64.32 112.074 -175.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.99 103.19 4.39 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.422 -0.808 . . . . 53.14 109.338 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.74 137.32 47.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.549 0.74 . . . . 72.34 111.007 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.45 55.58 2.25 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.454 1.101 . . . . 72.31 111.995 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -73.63 -2.89 24.92 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.535 0.939 . . . . 71.24 113.535 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.76 91.88 1.17 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.792 1.034 . . . . 63.14 113.792 -168.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -80.2 177.52 8.9 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.725 -0.67 . . . . 73.02 109.537 163.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.51 70.94 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.951 -0.468 . . . . 75.5 110.841 176.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.94 -38.95 87.1 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.261 0.625 . . . . 61.52 111.909 173.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.03 -42.86 96.95 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.201 0.601 . . . . 74.12 111.752 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -51.25 68.08 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.163 0.585 . . . . 62.41 111.696 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -68.86 -30.39 68.9 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.139 0.575 . . . . 73.3 111.695 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -52.37 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.953 0.501 . . . . 63.43 111.541 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -68.58 -31.76 71.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.2 111.777 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.98 73.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.664 0.786 . . . . 62.11 111.924 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 64' ' ' LEU . 86.6 mt -97.11 -13.85 21.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.425 0.69 . . . . 55.02 112.087 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 m80 67.24 58.69 0.54 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.481 1.112 . . . . 64.15 112.188 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -68.66 121.2 80.19 Favored Pre-proline 0 CA--C 1.559 1.291 0 N-CA-C 108.54 -0.911 . . . . 72.52 108.54 166.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.01 -27.08 74.01 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.379 2.053 . . . . 71.4 113.515 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HZ ' ' HG2' ' A' ' 51' ' ' MET . 30.6 m-85 -98.0 151.57 37.62 Favored Pre-proline 0 N--CA 1.487 1.392 0 C-N-CA 123.375 0.67 . . . . 72.05 111.106 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.62 153.66 47.66 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.214 1.943 . . . . 72.44 112.244 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.17 -29.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 123.651 0.781 . . . . 30.43 111.584 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.34 -51.69 32.88 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.32 1.048 . . . . 71.31 112.452 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.57 -33.2 75.37 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.713 1.005 . . . . 75.22 113.713 -173.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.29 -29.82 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.596 0 CA-C-O 121.459 0.647 . . . . 71.02 109.788 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.37 -36.74 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.627 0 C-N-CA 124.318 1.047 . . . . 72.42 112.537 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -99.59 -33.83 10.47 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.695 0.998 . . . . 74.33 113.695 -168.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.98 127.73 87.67 Favored Pre-proline 0 N--CA 1.487 1.404 0 CA-C-N 117.94 0.336 . . . . 73.54 110.87 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.56 142.83 96.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.407 2.072 . . . . 40.3 112.523 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.08 -31.53 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 124.872 1.269 . . . . 74.55 113.591 -171.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.85 -49.58 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-O 120.885 0.374 . . . . 73.4 111.331 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.46 -38.09 88.8 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.892 0.877 . . . . 62.22 112.0 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 65' ' ' ILE . 15.6 t80 -73.3 -44.19 59.55 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.045 -0.525 . . . . 71.44 111.386 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.83 -27.47 68.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.147 0.579 . . . . 75.33 111.814 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.13 -46.33 90.99 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.323 0.649 . . . . 73.52 111.706 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.43 ' HG2' ' HZ ' ' A' ' 35' ' ' PHE . 15.4 tpt -56.14 -44.96 79.72 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.372 0.669 . . . . 73.51 111.367 174.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 ttt -64.9 -37.71 88.55 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.366 -0.834 . . . . 71.0 111.787 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -22.56 65.68 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.134 0.574 . . . . 70.01 111.705 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -81.71 -52.08 7.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.597 0.759 . . . . 62.2 110.154 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.43 102.58 4.51 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.838 0.855 . . . . 63.42 110.88 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.01 129.35 37.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.542 0.737 . . . . 73.34 111.253 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.28 -175.67 3.79 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.705 0.802 . . . . 64.15 111.258 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -69.99 157.6 37.19 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.648 0.379 . . . . 75.15 111.147 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.83 -37.91 71.9 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 113.1 0.778 . . . . 73.34 113.1 -174.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.69 64.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.39 0.676 . . . . 62.02 111.844 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.19 -49.97 73.69 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.456 0.702 . . . . 72.15 111.3 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.86 -47.08 83.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.963 0.905 . . . . 73.44 111.951 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.96 75.76 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.4 0.68 . . . . 51.03 111.945 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 HD12 ' A' ' 31' ' ' LEU . 43.1 tp -58.77 -42.23 88.46 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.972 0.73 . . . . 70.54 112.972 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.445 HD13 ' HE1' ' A' ' 48' ' ' PHE . 89.0 mt -52.8 -44.44 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.743 0.817 . . . . 75.32 111.725 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -67.1 -30.08 70.01 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.232 0.613 . . . . 72.24 112.093 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.3 -49.56 18.79 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.85 0.46 . . . . 74.43 111.742 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.02 -35.72 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 63.44 112.433 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -70.84 -26.75 63.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.877 -0.514 . . . . 63.3 111.534 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -66.89 -27.38 67.46 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.462 0.305 . . . . 75.02 111.659 168.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.8 mmt-85 -78.69 -28.52 45.23 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.075 0.464 . . . . 73.43 110.178 170.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.92 35.46 4.24 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.794 -0.639 . . . . 61.32 114.395 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -76.55 76.29 3.25 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.231 0.613 . . . . 75.55 110.374 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.69 158.9 15.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.893 0.877 . . . . 63.42 111.645 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -90.27 168.14 12.14 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.388 0.675 . . . . 74.33 111.722 173.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.24 -9.72 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.757 0.823 . . . . 74.23 112.744 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.62 -0.54 47.52 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.708 0.803 . . . . 24.52 112.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.53 93.65 0.52 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.094 0.558 . . . . 62.42 111.021 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -98.75 -28.12 13.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.474 0.709 . . . . 50.01 112.123 -172.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -73.4 86.25 1.51 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 121.363 0.601 . . . . 71.23 110.877 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.2 t -95.5 134.95 37.76 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.555 0.742 . . . . 72.31 110.385 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -95.64 112.16 23.94 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.457 0.539 . . . . 74.1 112.457 -169.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.6 117.76 7.25 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 108.972 -0.751 . . . . 73.2 108.972 166.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -136.15 162.83 31.85 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.506 0.723 . . . . 72.22 111.332 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -86.08 75.07 9.98 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 107.734 -1.21 . . . . 74.2 107.734 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.6 pt? -84.78 23.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.194 0.998 . . . . 71.03 113.081 -167.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.02 99.46 0.09 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 123.47 0.708 . . . . 63.04 111.316 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -79.23 72.47 5.8 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 124.756 1.222 . . . . 73.12 112.589 -176.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.4 mm 57.12 77.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 124.464 1.106 . . . . 42.31 111.313 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 CA--C 1.565 1.544 0 C-N-CA 123.577 0.751 . . . . 52.13 111.364 -177.334 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.5 mtp . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.812 -0.137 . . . . 73.04 110.776 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.81 100.14 0.17 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 123.039 0.212 . . . . 64.33 113.365 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -105.21 82.99 1.91 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.517 0.727 . . . . 71.32 109.779 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -88.7 104.9 17.31 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.403 0.681 . . . . 73.41 110.895 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.8 116.16 29.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.605 0.762 . . . . 50.3 109.83 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -72.58 98.69 2.37 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.381 0.672 . . . . 75.01 111.111 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -79.65 87.36 5.2 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.451 0.7 . . . . 61.33 110.824 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -96.97 9.18 42.74 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.937 0.895 . . . . 73.02 110.643 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 p -69.09 120.81 15.52 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.958 0.903 . . . . 72.23 111.824 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -108.61 159.59 16.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.255 1.022 . . . . 72.03 110.425 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.4 ttm -92.83 121.3 34.06 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.153 0.581 . . . . 72.34 111.263 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -74.74 131.52 40.9 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.682 0.793 . . . . 65.01 110.746 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -77.62 89.32 3.92 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 121.104 0.478 . . . . 70.24 110.161 173.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -99.0 122.11 41.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.259 0.623 . . . . 61.14 110.002 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 p -147.59 90.33 1.85 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 33.45 110.453 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -101.16 87.59 3.29 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.256 0.622 . . . . 70.44 110.692 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.5 tp -90.64 157.65 17.36 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.545 0.688 . . . . 63.43 111.112 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.88 115.91 6.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.095 0.958 . . . . 71.2 109.933 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 95.81 1.04 Allowed 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.181 -0.674 . . . . 73.14 109.181 172.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -73.82 73.69 1.59 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.751 0.82 . . . . 74.3 111.369 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.5 mt -99.82 91.06 4.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.892 0.877 . . . . 71.23 110.232 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p -74.12 173.49 10.01 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.383 -0.826 . . . . 63.31 110.382 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -55.98 -28.63 57.98 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.447 0.699 . . . . 73.54 112.387 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.38 -44.94 49.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.972 0.909 . . . . 75.51 110.862 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -63.79 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.376 0.671 . . . . 75.12 111.459 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.42 -47.48 76.11 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.741 0.817 . . . . 75.31 112.262 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -70.06 -29.8 66.89 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 122.924 0.489 . . . . 71.12 111.934 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.86 60.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.944 0.498 . . . . 70.32 110.923 173.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.03 -27.64 68.94 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 115.694 -0.685 . . . . 73.53 111.322 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.28 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.661 0.784 . . . . 51.52 111.446 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.637 HD12 HD22 ' A' ' 64' ' ' LEU . 70.9 mt -87.14 12.17 12.21 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.368 0.667 . . . . 60.14 112.141 173.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 63.42 33.99 13.28 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.341 1.056 . . . . 71.51 112.385 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.7 mm -72.97 113.97 26.49 Favored Pre-proline 0 CA--C 1.561 1.386 0 N-CA-C 109.384 -0.598 . . . . 70.03 109.384 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.54 7.32 2.32 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.877 2.385 . . . . 73.41 114.637 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.63 145.74 50.22 Favored Pre-proline 0 N--CA 1.486 1.36 0 C-N-CA 124.303 1.041 . . . . 75.34 110.701 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.87 153.91 74.31 Favored 'Trans proline' 0 C--N 1.387 2.595 0 C-N-CA 122.993 2.462 . . . . 63.42 113.106 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HA ' HD13 ' A' ' 40' ' ' ILE . 55.2 t -51.75 -37.9 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 124.57 1.148 . . . . 44.42 112.578 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.5 tt0 -52.01 -43.06 63.48 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.442 0.697 . . . . 71.03 112.206 175.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' HD11 ' A' ' 43' ' ' LEU . 88.9 tttt -67.4 -41.43 84.96 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.654 0.382 . . . . 74.45 111.751 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 37' ' ' VAL . 4.7 mp -58.46 -45.44 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 122.321 0.248 . . . . 75.04 110.398 174.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG23 ' HA3' ' A' ' 72' ' ' GLY . 93.4 mt -52.22 -41.28 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.898 0.879 . . . . 70.22 111.548 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.26 -41.3 49.38 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.874 0.87 . . . . 73.41 112.577 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' HE2' ' A' ' 39' ' ' LYS . 96.6 mt -69.63 116.09 39.67 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 123.364 0.666 . . . . 45.15 112.145 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.27 167.15 27.06 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.786 2.324 . . . . 73.22 111.626 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.45 -43.04 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 112.864 0.69 . . . . 70.51 112.864 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.18 -51.23 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 122.674 0.389 . . . . 63.12 111.498 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.79 -36.11 78.18 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.431 0.692 . . . . 62.4 111.873 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 25.9 t80 -72.86 -33.71 66.27 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.816 -0.629 . . . . 72.51 111.558 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.448 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 4.4 m-20 -66.61 -30.1 70.3 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.089 0.555 . . . . 71.01 111.35 177.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -67.42 -39.74 85.48 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.885 0.474 . . . . 75.13 111.009 171.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.7 tpt -60.75 -54.57 43.6 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.19 0.596 . . . . 53.44 111.438 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HG3' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -74.22 -15.89 60.98 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.287 0.477 . . . . 64.55 112.287 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -59.36 -51.67 68.92 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.739 0.78 . . . . 62.44 110.474 172.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -65.44 -47.92 74.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.002 -1.454 . . . . 75.23 111.305 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -146.41 115.73 7.07 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.712 0.805 . . . . 63.41 110.7 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -81.88 144.46 30.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.32 1.048 . . . . 75.22 112.244 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.99 163.44 12.44 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.868 0.867 . . . . 75.11 110.009 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -70.09 153.52 43.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.865 0.466 . . . . 70.35 111.158 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.39 -34.15 74.86 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.924 0.713 . . . . 70.22 112.924 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.04 81.06 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.526 0.731 . . . . 55.32 111.724 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -66.89 -50.53 62.16 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.627 0.771 . . . . 64.32 110.474 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.28 -34.04 73.18 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.018 0.927 . . . . 72.33 112.085 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.58 78.9 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.834 0.854 . . . . 62.22 111.688 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 31' ' ' LEU . 60.8 tp -62.33 -46.21 89.72 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.505 0.722 . . . . 74.02 111.607 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.429 HG23 HG23 ' A' ' 40' ' ' ILE . 98.0 mt -59.01 -43.0 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.716 0.806 . . . . 73.4 112.166 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -62.97 -46.26 88.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.51 110.741 175.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.7 -47.95 80.93 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.231 1.012 . . . . 72.32 111.937 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.421 HD13 HG13 ' A' ' 37' ' ' VAL . 87.1 mt -61.95 -45.16 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.307 1.043 . . . . 71.24 111.569 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.06 -26.71 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.37 0.668 . . . . 74.42 112.334 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 74' ' ' ASN . 99.7 mtt180 -71.47 -18.82 62.28 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.018 0.747 . . . . 75.21 113.018 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -84.02 -41.45 17.23 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.754 0.422 . . . . 74.35 111.16 171.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' HA3' HG23 ' A' ' 41' ' ' ILE . . . -78.0 -54.19 4.58 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 114.043 0.377 . . . . 55.11 114.043 -178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -95.31 35.57 1.3 Allowed 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.959 1.304 . . . . 74.53 112.853 -173.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 70' ' ' ARG . 26.0 p30 -92.89 22.76 4.63 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.169 0.803 . . . . 65.24 113.169 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -81.57 16.26 1.8 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.862 0.69 . . . . 63.11 112.862 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.53 -67.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.466 0.707 . . . . 74.12 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.48 156.17 6.56 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.586 0.754 . . . . 72.23 111.053 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.23 133.38 51.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.859 0.863 . . . . 61.14 110.589 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -108.31 106.53 16.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.204 0.602 . . . . 75.03 110.463 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.12 -48.17 8.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.433 0.693 . . . . 70.11 110.676 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.49 131.41 35.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.094 0.557 . . . . 54.34 111.149 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -68.94 131.87 45.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.954 0.902 . . . . 74.44 112.278 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.64 127.25 40.2 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.916 0.886 . . . . 74.5 110.426 173.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -66.74 91.88 0.2 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.601 0.76 . . . . 75.32 110.943 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.64 97.43 10.55 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.251 0.548 . . . . 63.15 111.203 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.9 mt -79.14 94.25 5.33 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.818 0.847 . . . . 64.32 109.91 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -83.81 88.32 7.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.25 0.62 . . . . 73.02 110.68 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -101.23 -35.83 9.14 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.202 0.601 . . . . 75.44 111.166 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 mp 60.69 87.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 124.662 1.185 . . . . 74.32 109.61 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.568 1.639 0 C-N-CA 123.757 0.823 . . . . 64.32 112.034 -174.154 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 120.401 0.143 . . . . 63.45 111.293 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.97 134.07 8.18 Favored Glycine 0 N--CA 1.479 1.567 0 CA-C-N 116.743 -0.208 . . . . 71.34 113.165 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -71.83 -29.03 63.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.459 0.704 . . . . 64.41 111.185 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 t60 63.46 23.65 13.77 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 125.301 1.44 . . . . 73.43 113.01 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 55.2 147.75 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 127.018 2.127 . . . . 65.33 116.065 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -138.7 124.91 20.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.207 1.003 . . . . 73.34 110.228 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -140.76 -59.12 0.51 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.855 0.862 . . . . 64.32 111.097 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -59.79 131.77 51.92 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.105 0.562 . . . . 72.41 112.298 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -138.93 -179.33 5.77 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.611 0.764 . . . . 72.04 111.373 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -110.03 46.02 1.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.544 0.738 . . . . 75.43 110.814 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.7 ptp -74.52 2.62 9.22 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.764 0.825 . . . . 70.25 113.009 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -69.62 89.33 0.53 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 121.203 0.525 . . . . 71.44 111.158 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -89.57 11.36 19.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.451 1.101 . . . . 75.01 111.388 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 p -65.57 107.3 1.67 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.777 1.231 . . . . 75.44 112.065 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.1 p -125.1 -15.94 6.17 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.1 0.96 . . . . 53.05 111.035 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -83.72 113.23 20.74 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.521 0.728 . . . . 74.21 109.781 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.09 -172.02 2.46 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.196 0.998 . . . . 71.01 112.961 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.604 ' HB3' HD11 ' A' ' 21' ' ' LEU . 5.3 mp0 -71.09 85.67 0.73 Allowed 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 114.257 -1.338 . . . . 61.0 110.746 172.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.58 157.88 45.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.659 0.784 . . . . 74.41 111.183 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.6 m80 61.1 28.63 18.32 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.469 1.108 . . . . 74.11 111.232 -175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 18' ' ' GLU . 54.2 mt -71.54 99.85 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.192 -0.913 . . . . 73.32 110.521 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -66.2 168.01 9.29 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.279 -0.419 . . . . 52.1 110.351 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.41 -20.94 21.99 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.083 0.771 . . . . 72.14 113.083 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.7 m-20 -63.83 -53.97 42.32 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.543 0.737 . . . . 64.3 111.32 172.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -65.4 -27.07 68.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.891 -0.506 . . . . 74.34 112.168 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.67 -40.34 66.36 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.399 0.518 . . . . 74.3 112.399 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 9.0 ptm180 -70.99 -33.23 70.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.465 0.306 . . . . 73.34 110.3 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -63.92 -48.72 75.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.296 0.639 . . . . 62.03 111.075 173.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.37 -26.48 68.77 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.605 1.162 . . . . 63.54 112.415 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.06 94.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.34 0.656 . . . . 70.22 111.657 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HD22 ' A' ' 64' ' ' LEU . 83.4 mt -94.14 10.23 34.64 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.331 0.652 . . . . 75.4 112.356 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.37 36.57 8.96 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.526 1.13 . . . . 74.13 113.184 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 35' ' ' PHE . 49.6 mm -61.95 124.26 81.07 Favored Pre-proline 0 CA--C 1.563 1.453 0 C-N-CA 123.464 0.706 . . . . 53.52 110.051 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.41 -8.65 20.94 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.653 2.235 . . . . 65.3 113.651 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' H ' HG22 ' A' ' 33' ' ' ILE . 40.0 m-85 -112.02 151.08 43.31 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.699 0.799 . . . . 62.32 111.325 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -64.66 161.16 36.81 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.339 2.026 . . . . 62.21 111.941 165.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 68' ' ' ILE . 44.5 t -62.42 -40.51 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.681 0.792 . . . . 73.21 111.544 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.14 -35.7 67.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.252 0.621 . . . . 75.33 112.264 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 43' ' ' LEU . 57.8 tptt -63.26 -45.87 89.49 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.239 0.616 . . . . 74.22 112.0 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.45 -41.4 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.238 0.615 . . . . 75.3 110.61 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.29 -43.0 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.621 0.768 . . . . 73.31 111.803 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -77.15 -21.92 53.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.29 0.636 . . . . 73.42 112.634 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 39' ' ' LYS . 94.6 mt -88.62 108.39 22.6 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-O 119.064 -0.493 . . . . 75.41 110.001 172.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.55 159.83 30.53 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.684 2.256 . . . . 64.13 111.69 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.97 -36.12 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 123.013 0.525 . . . . 64.31 112.207 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.67 -52.86 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-O 121.42 0.629 . . . . 64.44 111.696 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.77 -40.73 75.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.965 0.906 . . . . 62.05 111.795 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -69.09 -34.32 74.92 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.499 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.47 -36.4 78.19 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.777 0.431 . . . . 71.43 111.78 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.02 -48.87 72.36 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.515 0.326 . . . . 74.53 110.888 173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.4 tpt -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.379 0.671 . . . . 63.42 111.795 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.8 ttp -74.88 -29.53 61.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.42 1.088 . . . . 61.13 111.605 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -72.54 -46.5 54.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.688 0.395 . . . . 63.11 111.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -46.15 56.45 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.698 0.399 . . . . 63.15 111.201 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.4 82.89 2.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -69.98 101.63 1.83 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.029 0.532 . . . . 74.21 110.923 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.94 167.51 20.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.105 0.562 . . . . 74.22 110.48 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -74.33 151.64 39.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.509 0.324 . . . . 61.32 111.411 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -39.09 61.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.33 1.052 . . . . 72.4 113.527 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.46 71.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.516 0.726 . . . . 42.13 111.82 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -46.78 87.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.495 0.718 . . . . 64.13 111.252 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -38.09 85.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.909 0.883 . . . . 73.41 112.077 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.53 91.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.558 0.743 . . . . 71.01 111.977 175.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 28' ' ' ALA . 56.4 tp -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.085 0.554 . . . . 75.41 111.96 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.11 -39.55 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.594 0.758 . . . . 74.45 111.613 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.45 -35.6 79.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.608 0.763 . . . . 74.33 111.664 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 6.4 t70 -74.91 -37.35 62.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.798 0.332 . . . . 73.24 111.172 177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 37' ' ' VAL . 45.4 mt -64.45 -34.09 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.167 0 C-N-CA 123.467 0.707 . . . . 74.31 111.129 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.524 0.73 . . . . 74.14 112.757 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 2.1 ptm180 -67.8 -35.21 78.24 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 122.574 0.35 . . . . 54.14 111.619 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.65 -4.57 56.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.983 0.513 . . . . 72.04 111.147 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.33 -179.93 52.47 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 116.569 -0.287 . . . . 74.43 113.426 171.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.5 tttt 56.31 58.65 4.12 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.635 1.174 . . . . 72.12 110.228 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -69.81 -38.6 76.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.84 -1.073 . . . . 73.43 111.446 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -77.3 131.38 38.11 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 121.145 0.498 . . . . 72.52 110.817 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.1 -35.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 73.22 109.327 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 72.02 145.73 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.808 1.643 . . . . 60.04 112.95 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 68.91 119.34 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 125.13 1.372 . . . . 44.4 111.707 -171.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -56.99 -37.17 71.26 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.616 0.766 . . . . 74.1 111.628 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -134.41 120.03 19.31 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.046 -1.094 . . . . 52.52 108.046 170.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.2 p -72.14 116.21 12.28 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.932 0.493 . . . . 73.22 111.579 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -99.57 139.46 35.19 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.713 0.805 . . . . 73.31 110.293 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.67 105.4 0.95 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.421 0.688 . . . . 74.23 110.997 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -151.66 155.0 37.48 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.532 0.733 . . . . 61.23 110.088 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -92.17 179.95 5.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.094 0.557 . . . . 73.25 111.485 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -152.76 93.59 1.78 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.723 -0.843 . . . . 63.25 108.723 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.9 114.59 4.94 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.295 0.638 . . . . 75.43 111.754 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -128.31 137.86 52.13 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.906 0.882 . . . . 71.24 110.17 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.4 pp -75.52 177.66 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 123.018 0.527 . . . . 73.44 112.15 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 CA--C 1.577 2.008 0 CA-C-O 120.962 0.41 . . . . 73.44 112.001 -179.301 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.883 -0.414 . . . . 61.42 109.883 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.74 -151.92 52.32 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.547 0.529 . . . . 74.2 114.204 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 70.35 142.71 0.05 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 125.351 1.46 . . . . 72.24 113.636 174.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -83.28 100.35 10.57 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.923 -0.581 . . . . 73.35 109.504 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -78.1 98.14 5.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.689 0.796 . . . . 65.1 110.633 -174.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -131.68 155.86 46.89 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.833 0.853 . . . . 72.44 111.767 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -126.68 139.86 52.84 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.018 0.927 . . . . 54.43 110.219 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -113.98 2.61 15.06 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.122 0.569 . . . . 70.41 112.26 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.7 m -67.9 118.14 10.72 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.595 0.758 . . . . 51.54 111.719 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -76.06 149.98 37.39 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 113.06 0.763 . . . . 73.15 113.06 -171.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.93 91.72 1.57 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.597 -0.89 . . . . 74.0 108.597 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -95.86 -11.91 26.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.478 0.711 . . . . 61.12 112.478 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -80.59 64.53 5.41 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.97 0.89 . . . . 63.52 111.162 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 m -144.32 114.35 7.36 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.562 0.745 . . . . 73.44 110.444 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 p -92.04 101.51 14.05 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.253 0.621 . . . . 74.01 110.421 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -70.07 100.82 1.69 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.279 0.632 . . . . 61.41 109.843 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 tp -138.98 158.26 44.52 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.607 0.763 . . . . 64.32 110.58 -174.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.56 134.97 46.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.363 1.065 . . . . 75.43 112.736 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.29 -170.54 2.3 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.996 0.918 . . . . 73.25 110.966 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -92.54 37.99 1.01 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.427 0.691 . . . . 62.52 110.393 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -55.1 92.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 114.134 1.161 . . . . 75.5 114.134 -165.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -76.22 173.56 11.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.913 -1.04 . . . . 64.22 110.498 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -56.71 -38.33 72.17 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.41 0.284 . . . . 75.21 111.008 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.74 -47.72 81.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.703 0.801 . . . . 70.31 112.102 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -67.98 -37.41 81.47 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.401 0.519 . . . . 65.42 112.401 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.38 -42.34 98.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.097 0.559 . . . . 53.34 111.576 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -76.76 -37.51 55.78 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.858 0.863 . . . . 71.03 112.061 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -53.2 19.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.798 0.839 . . . . 63.21 112.081 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.52 -23.77 63.64 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.115 0.566 . . . . 75.44 111.218 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.106 0.563 . . . . 64.05 111.791 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD12 HD22 ' A' ' 64' ' ' LEU . 95.5 mt -84.41 -2.33 56.99 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.367 0.667 . . . . 73.11 112.489 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.9 t60 64.07 57.66 1.26 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.555 1.142 . . . . 73.01 111.778 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -82.19 118.79 73.26 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.51 -0.768 . . . . 75.32 109.262 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.98 -1.1 10.77 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.847 2.365 . . . . 75.33 113.839 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.47 156.09 42.77 Favored Pre-proline 0 N--CA 1.481 1.125 0 C-N-CA 123.792 0.837 . . . . 74.34 111.346 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 165.64 28.37 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.287 1.991 . . . . 74.04 112.354 168.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.36 -36.73 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.316 0.646 . . . . 74.52 111.362 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.82 -40.67 89.21 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.983 0.913 . . . . 74.34 112.549 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -47.23 80.58 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.376 0.51 . . . . 75.41 112.376 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.65 -40.65 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.382 0 C-N-CA 123.112 0.565 . . . . 73.22 110.762 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.86 -47.01 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.847 0.859 . . . . 74.11 112.747 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -82.08 -12.22 58.35 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.264 0.838 . . . . 72.04 113.264 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.79 112.5 32.4 Favored Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 123.028 0.531 . . . . 61.1 111.39 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.48 167.68 23.39 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.897 2.398 . . . . 64.53 112.05 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.81 -47.95 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 123.617 0.767 . . . . 64.45 112.977 -171.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.79 -46.94 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.109 0.48 . . . . 70.14 111.206 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.14 -41.5 96.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.434 1.094 . . . . 73.42 112.039 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 67.7 t80 -73.49 -38.77 65.27 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.64 -0.709 . . . . 73.22 112.146 -175.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -66.81 -38.36 86.33 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.116 0.484 . . . . 75.34 110.603 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.1 -41.69 97.13 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.226 1.01 . . . . 64.43 111.165 171.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 ttt -74.49 -42.33 59.17 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.067 0.766 . . . . 70.4 113.067 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -74.49 -21.53 59.52 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.053 0.39 . . . . 64.24 112.053 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -64.92 -35.56 81.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.224 0.609 . . . . 63.32 111.76 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -98.92 -23.42 15.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.527 0.731 . . . . 71.21 112.057 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -115.93 88.46 2.89 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.816 0.846 . . . . 71.43 109.348 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -81.07 135.53 35.83 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.734 0.414 . . . . 64.51 111.58 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -123.93 171.61 9.57 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.103 0.961 . . . . 75.12 110.158 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.41 159.78 31.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.64 0.376 . . . . 74.44 111.375 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.28 -32.81 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.79 0.663 . . . . 71.43 112.79 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.73 68.2 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.203 0.601 . . . . 31.15 111.335 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -63.03 -48.65 77.81 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.432 0.693 . . . . 64.42 111.012 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.65 -29.79 68.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.652 0.781 . . . . 53.31 112.486 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.15 91.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.089 0.555 . . . . 34.43 111.169 173.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 31' ' ' LEU . 43.3 tp -58.84 -50.46 73.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 115.381 -0.827 . . . . 50.31 111.673 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.509 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 82.3 mt -58.93 -44.2 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.531 0.732 . . . . 72.42 111.844 -176.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.95 -35.77 77.61 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.753 0.421 . . . . 73.14 111.672 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.81 -48.2 69.67 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.585 0.754 . . . . 73.21 111.546 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 122.901 0.48 . . . . 70.21 111.279 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.52 71.42 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.03 0.932 . . . . 71.51 111.109 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -71.24 -27.85 63.76 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.847 0.459 . . . . 72.54 111.435 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -82.21 -14.59 55.34 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.435 0.694 . . . . 74.22 111.643 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.93 159.89 46.1 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.869 -0.406 . . . . 54.42 112.57 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? 58.56 30.12 19.36 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 124.151 0.98 . . . . 53.01 112.276 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -83.58 5.67 23.4 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 113.807 1.04 . . . . 74.55 113.807 -171.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.7 81.02 2.05 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.998 0.74 . . . . 74.22 112.998 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.6 t 61.94 -65.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 126.752 2.021 . . . . 71.02 114.727 167.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.45 114.91 1.05 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.546 1.538 . . . . 74.35 113.53 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.65 140.06 47.71 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.66 0.784 . . . . 70.0 111.625 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.38 133.61 34.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.589 0.756 . . . . 73.45 111.17 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -70.51 132.08 44.99 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.231 0.612 . . . . 72.4 112.153 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 51.4 t -149.28 161.53 41.85 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.222 1.009 . . . . 72.01 110.279 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 82' ' ' ARG . 4.2 mpt_? -74.78 141.59 44.36 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.898 0.479 . . . . 75.42 110.654 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -125.47 159.3 32.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.536 0.734 . . . . 72.3 111.11 -162.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 143.81 17.29 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.707 1.373 . . . . 74.41 114.707 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.2 158.34 34.36 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 72.41 110.27 176.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 mt 55.59 79.11 0.17 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.597 1.159 . . . . 71.14 112.568 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.06 0.56 10.76 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.437 0.695 . . . . 74.44 112.326 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 64.45 -84.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.956 1.303 . . . . 75.43 111.96 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.3 mm 65.02 139.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 125.274 1.43 . . . . 74.24 114.231 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 CA--C 1.57 1.75 0 C-N-CA 124.7 1.2 . . . . 72.04 110.449 167.072 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 120.265 0.078 . . . . 74.54 111.187 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.46 -68.31 2.97 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 116.654 -0.248 . . . . 44.31 112.976 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -84.32 131.45 34.71 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.497 0.719 . . . . 71.12 110.072 172.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -61.79 -50.33 72.77 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.777 0.831 . . . . 73.04 112.723 -171.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.8 t60 68.0 159.32 0.16 Allowed 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 124.878 1.271 . . . . 73.14 112.779 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 75.81 138.49 0.06 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.473 1.509 . . . . 71.14 112.506 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -97.8 -179.63 4.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.174 0.99 . . . . 71.32 112.372 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -97.12 117.92 32.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 121.147 0.499 . . . . 71.31 110.48 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -108.91 -77.75 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.901 -0.499 . . . . 71.32 111.063 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 62.37 8.77 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.738 1.215 . . . . 74.42 113.571 -173.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.6 ttt -84.98 90.15 7.76 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.478 0.711 . . . . 72.25 109.811 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -165.99 179.44 5.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.796 0.839 . . . . 74.45 110.257 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -99.77 170.48 8.52 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.293 0.637 . . . . 72.34 110.519 171.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -75.03 84.97 2.29 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.156 0.503 . . . . 34.41 110.231 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.3 t -161.89 168.59 22.72 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.061 0.945 . . . . 54.35 111.142 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.19 108.88 20.71 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.792 0.837 . . . . 74.14 110.712 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.39 140.31 33.76 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.964 0.506 . . . . 54.45 112.34 177.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 57.93 17.19 4.15 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.997 1.319 . . . . 74.25 113.778 167.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.02 72.06 9.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.385 0.674 . . . . 65.44 110.985 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 59.03 20.25 8.07 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 124.851 1.26 . . . . 74.12 112.693 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -82.4 93.01 7.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.531 0.732 . . . . 43.32 111.63 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -82.7 -179.0 7.29 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.963 0.905 . . . . 63.01 111.725 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -63.27 -41.72 99.06 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.627 0.371 . . . . 63.24 110.318 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.33 -44.7 95.89 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.798 0.839 . . . . 55.3 111.756 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -57.45 -53.31 59.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.535 0.734 . . . . 64.43 112.143 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.72 -41.87 91.84 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 112.724 0.638 . . . . 75.43 112.724 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -76.82 -32.64 57.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.821 0.675 . . . . 74.13 112.821 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.31 65.77 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.847 0.459 . . . . 75.01 111.717 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.86 -24.28 59.72 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.727 0.411 . . . . 72.42 110.764 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.55 -29.68 67.32 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.337 0.655 . . . . 72.4 111.512 167.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' ' 61' ' ' GLN . 92.0 mt -79.86 -3.65 48.81 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.261 0.624 . . . . 71.11 111.796 169.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 64.07 35.25 10.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.621 1.168 . . . . 75.3 111.487 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG21 HD11 ' A' ' 40' ' ' ILE . 48.7 mm -65.02 126.65 91.67 Favored Pre-proline 0 CA--C 1.561 1.377 0 C-N-CA 122.933 0.493 . . . . 73.3 110.232 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.43 -21.14 66.73 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.376 2.718 . . . . 51.42 114.613 -176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' HE1' ' HG2' ' A' ' 51' ' ' MET . 2.1 p90 -129.89 151.38 78.11 Favored Pre-proline 0 CA--C 1.565 1.543 0 C-N-CA 123.731 0.813 . . . . 74.24 112.296 -174.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.9 Cg_exo -58.68 160.86 16.29 Favored 'Trans proline' 0 C--N 1.388 2.625 0 C-N-CA 123.945 3.097 . . . . 70.43 114.595 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 68' ' ' ILE . 93.8 t -59.75 -44.17 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 123.165 0.586 . . . . 63.24 112.48 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp0 -59.02 -27.51 65.53 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.612 0.365 . . . . 73.22 111.922 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.1 tpmt? -71.19 -43.91 66.47 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 119.064 -0.493 . . . . 73.43 110.877 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 33' ' ' ILE . 4.4 mp -57.15 -42.13 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 118.166 0.439 . . . . 75.34 110.319 172.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 38' ' ' GLU . 85.3 mt -58.36 -43.2 85.84 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.391 0 C-N-CA 123.906 0.882 . . . . 63.33 111.899 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -97.3 4.99 50.65 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 113.738 1.014 . . . . 65.11 113.738 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 62.2 mt -101.02 109.74 59.17 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 122.991 0.517 . . . . 74.54 110.807 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -60.46 165.71 10.79 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.684 2.256 . . . . 53.03 112.167 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 -39.2 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 123.443 0.697 . . . . 44.01 112.377 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.88 -51.02 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 123.315 0.646 . . . . 53.42 111.831 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.11 -34.26 75.99 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.031 0.932 . . . . 74.4 112.023 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 14.6 t80 -72.6 -34.98 67.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.476 0.711 . . . . 72.21 110.741 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 5.0 m-20 -68.91 -25.39 64.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.18 0.992 . . . . 73.0 112.713 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -56.15 -47.75 77.62 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.89 0.476 . . . . 73.04 110.905 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.402 ' HG2' ' HE1' ' A' ' 35' ' ' PHE . 15.7 tpt -73.26 -43.74 60.54 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.118 0.567 . . . . 62.42 111.242 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 56' ' ' GLN . 47.7 ttm -65.6 -17.04 64.29 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.074 0.95 . . . . 71.22 112.736 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.9 t -55.47 -29.51 58.87 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.246 1.018 . . . . 51.04 112.606 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.2 -52.94 5.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.269 0.627 . . . . 72.5 111.176 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -141.11 141.52 34.19 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.997 0.919 . . . . 70.53 110.439 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.729 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.2 OUTLIER -79.46 6.72 9.57 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.111 0.782 . . . . 72.03 113.111 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 69.23 166.66 0.27 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.16 1.384 . . . . 65.41 112.148 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 58.2 t30 -77.87 153.82 32.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.829 -0.623 . . . . 63.01 110.422 174.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.13 -44.19 95.1 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.913 0.885 . . . . 72.33 111.688 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.28 73.01 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.05 0.94 . . . . 34.45 112.555 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 31' ' ' LEU . 89.8 mt-30 -70.09 -52.38 24.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.318 0.647 . . . . 61.21 110.658 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.34 -30.46 69.55 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.405 1.082 . . . . 75.43 112.614 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -54.27 -46.54 72.7 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.771 0.828 . . . . 63.51 111.728 174.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 tp -76.39 -49.97 15.41 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.442 -0.799 . . . . 75.35 111.715 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.495 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 79.3 mt -52.64 -50.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.606 1.162 . . . . 71.14 113.454 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.415 HH21 ' HA ' ' A' ' 63' ' ' ALA . 77.9 mtm180 -60.14 -43.32 95.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.897 0.479 . . . . 75.22 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.97 -39.57 92.61 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.406 0.682 . . . . 74.43 111.746 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 37' ' ' VAL . 75.1 mt -66.32 -41.67 89.39 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 123.609 0.763 . . . . 73.23 111.766 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -68.28 -41.2 81.37 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.913 0.485 . . . . 74.4 111.75 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -71.98 -24.01 61.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.258 0.623 . . . . 73.51 111.495 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -76.16 -37.81 57.49 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.531 0.732 . . . . 71.04 110.547 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.37 61.17 4.75 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.585 -0.734 . . . . 72.33 113.596 -175.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.55 81.34 7.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.764 0.826 . . . . 72.34 109.442 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -152.03 171.13 18.32 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.578 0.751 . . . . 72.54 111.598 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -93.21 131.46 38.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.822 0.849 . . . . 70.34 109.381 170.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.1 m -62.59 -24.02 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 112.921 0.712 . . . . 75.31 112.921 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.9 132.17 35.17 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.625 0.77 . . . . 75.41 111.385 175.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.41 -167.27 1.77 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.13 0.972 . . . . 34.23 110.113 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.69 120.25 13.75 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 110.035 -0.357 . . . . 64.12 110.035 172.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -66.41 100.78 0.68 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.466 0.65 . . . . 72.54 111.411 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.86 104.66 11.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.942 0.897 . . . . 63.42 110.458 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -132.14 174.76 9.87 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.915 0.886 . . . . 65.22 110.074 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.79 173.77 16.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 112.939 0.718 . . . . 70.35 112.939 -169.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.88 133.73 50.63 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.103 0.961 . . . . 74.42 110.922 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -80.16 81.43 6.41 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.869 0.842 . . . . 74.04 110.654 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.72 -175.34 4.87 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 115.222 -0.899 . . . . 74.25 111.363 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.3 -9.29 58.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.701 0.8 . . . . 71.51 112.663 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.24 107.03 0.97 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.684 0.794 . . . . 64.43 111.764 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.7 pt -98.08 174.24 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.236 0.614 . . . . 65.52 111.027 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.582 2.176 0 C-N-CA 123.414 0.685 . . . . 65.11 112.284 178.356 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.534 0.207 . . . . 73.45 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.81 86.49 0.36 Allowed Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.471 -0.332 . . . . 63.04 112.974 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.02 113.33 8.94 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.757 0.823 . . . . 74.44 110.426 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -135.28 128.33 31.63 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.437 0.695 . . . . 72.11 111.872 -174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -103.51 111.39 23.81 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.811 0.845 . . . . 74.24 109.728 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -136.93 -16.09 1.49 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.939 0.496 . . . . 72.4 111.894 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -73.53 126.54 30.46 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.078 0.551 . . . . 74.3 111.423 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -89.34 97.89 11.45 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.401 1.08 . . . . 75.52 110.109 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -130.65 133.28 45.99 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 112.77 0.655 . . . . 64.01 112.77 -172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -123.88 127.86 48.63 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.984 1.314 . . . . 71.54 109.362 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtm -119.68 156.2 30.94 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.253 0.621 . . . . 72.51 110.862 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -94.55 146.55 24.03 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.35 0.66 . . . . 72.15 111.238 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -138.22 83.67 1.99 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.749 0.819 . . . . 71.3 108.803 169.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.2 t -87.47 163.46 16.69 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.798 0.839 . . . . 60.44 112.268 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.1 t -147.12 143.75 28.51 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.196 0.998 . . . . 75.54 110.382 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 165.32 21.34 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.203 0.525 . . . . 74.34 111.889 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 tp -153.44 174.36 14.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.542 1.137 . . . . 73.24 109.162 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.09 97.56 0.12 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 109.787 -0.449 . . . . 71.21 109.787 168.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 85.35 3.04 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.385 0.612 . . . . 51.41 110.7 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -80.25 81.54 6.49 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.392 0.615 . . . . 63.52 109.901 176.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.37 82.5 8.3 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.703 0.763 . . . . 74.42 109.208 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -73.92 177.66 5.44 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.496 -1.229 . . . . 73.34 112.65 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 26' ' ' LEU . 71.7 ttt180 -61.42 -32.33 72.28 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.016 0.927 . . . . 71.22 110.689 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.92 -34.24 77.35 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.698 -1.137 . . . . 73.23 111.38 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.703 ' HA ' HG21 ' A' ' 37' ' ' VAL . 6.2 tm-20 -67.78 -45.57 74.47 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.273 0.629 . . . . 63.35 110.334 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 23' ' ' ARG . 65.6 mt -56.1 -46.19 79.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.395 1.078 . . . . 64.21 112.29 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.4 ptp180 -72.65 -34.42 67.26 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.079 0.552 . . . . 72.14 111.782 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.11 67.87 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.538 0.735 . . . . 70.44 112.592 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.56 -25.13 67.84 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.571 0.748 . . . . 73.4 111.701 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -36.32 78.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.464 0.705 . . . . 73.01 111.8 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.14 -5.33 55.2 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.708 0.803 . . . . 63.53 112.251 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 62.24 59.49 1.6 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.877 1.271 . . . . 72.53 111.895 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 65' ' ' ILE . 51.2 mm -70.41 120.93 81.63 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-N 115.442 -0.799 . . . . 71.33 109.837 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.52 6.41 4.83 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.052 2.501 . . . . 75.34 114.64 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -108.89 157.96 35.45 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 123.447 0.699 . . . . 62.22 111.629 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.76 128.51 22.29 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 121.825 1.683 . . . . 52.14 109.34 159.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 25' ' ' GLU . 58.7 t -70.42 -28.85 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 112.288 0.477 . . . . 71.21 112.288 -172.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -36.06 82.79 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.968 -0.382 . . . . 63.13 109.968 171.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -64.72 -37.53 87.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.744 0.818 . . . . 73.53 111.5 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.44 -48.51 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 123.42 0.688 . . . . 63.43 111.052 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.16 -26.13 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 C-N-CA 123.957 0.903 . . . . 72.1 111.464 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -83.31 -38.1 22.56 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.51 0.724 . . . . 64.31 111.97 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.59 120.45 75.56 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.997 0.919 . . . . 70.53 111.716 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.87 165.7 18.06 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 122.962 2.441 . . . . 61.45 112.167 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.43 -52.71 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 113.288 0.847 . . . . 74.21 113.288 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.2 t -60.64 -41.63 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.17 0.51 . . . . 72.24 111.955 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.71 -41.7 78.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.299 1.04 . . . . 73.23 112.052 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.069 -0.969 . . . . 74.32 111.434 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 6.3 m-80 -64.71 -35.86 82.43 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.819 0.848 . . . . 72.34 111.121 174.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.0 tp10 -59.48 -48.52 81.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.688 0.795 . . . . 72.15 110.881 172.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.97 -45.84 84.01 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.645 0.778 . . . . 71.41 112.454 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -74.07 -16.29 61.04 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.504 0.557 . . . . 70.11 112.504 -176.192 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -86.29 -23.5 26.29 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.241 0.616 . . . . 75.02 111.578 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 29.8 mtpp -78.32 -47.65 17.32 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.048 0.539 . . . . 75.41 111.054 173.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -87.43 145.09 26.43 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.674 0.789 . . . . 74.35 110.841 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.04 130.66 38.55 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.915 0.486 . . . . 73.52 110.856 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 92.5 m-85 -128.29 159.46 35.2 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.508 0.723 . . . . 74.03 111.595 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -78.61 154.02 30.63 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 115.417 -0.811 . . . . 55.04 109.318 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.48 -41.92 81.61 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.112 0.965 . . . . 63.34 111.32 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.51 77.84 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.859 0.864 . . . . 71.54 112.084 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.99 -54.46 46.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.198 0.599 . . . . 74.24 111.555 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.99 -41.74 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.996 0.918 . . . . 74.45 112.796 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.95 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.835 0.854 . . . . 63.31 112.838 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 27' ' ' ARG . 54.8 tp -71.92 -37.87 69.98 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.335 -0.393 . . . . 73.45 112.024 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 33' ' ' ILE . 68.8 mt -57.55 -40.49 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 C-N-CA 123.536 0.734 . . . . 74.42 111.901 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.61 -34.99 75.05 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.521 0.729 . . . . 74.4 111.877 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.21 -51.34 25.27 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 122.996 0.518 . . . . 64.31 111.134 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.34 -44.42 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.08 0.952 . . . . 62.33 112.559 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -50.63 71.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.518 0.727 . . . . 70.42 110.516 -176.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -70.36 -45.75 65.46 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.297 0.639 . . . . 72.41 112.251 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.659 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -75.04 -62.75 1.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.788 0.435 . . . . 63.0 110.081 -175.478 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.59 50.94 Favored Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.019 1.167 . . . . 61.32 116.019 170.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -83.92 -64.72 1.11 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.886 0.874 . . . . 61.13 112.19 -172.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -127.81 -79.21 0.58 Allowed 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 123.044 0.537 . . . . 74.33 112.207 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -78.51 124.39 28.09 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 122.642 0.377 . . . . 73.14 111.591 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 71' ' ' ARG . 27.4 m -79.93 64.27 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 CA-C-O 122.49 1.138 . . . . 72.24 111.653 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 145.32 8.28 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.564 1.145 . . . . 55.23 110.194 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.02 81.61 6.25 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.242 0.617 . . . . 51.42 111.101 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -155.08 152.91 30.12 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.008 0.923 . . . . 61.01 110.745 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.93 92.95 1.67 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.246 0.619 . . . . 62.21 109.996 174.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.9 t -70.2 106.42 3.3 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.815 -0.629 . . . . 42.35 111.133 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -80.61 127.27 32.27 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 109.442 -0.577 . . . . 71.33 109.442 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -85.18 122.68 29.72 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.342 0.497 . . . . 71.44 112.342 -170.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -94.55 -169.26 2.0 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.925 0.89 . . . . 71.24 110.067 173.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.15 144.43 29.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.846 -0.533 . . . . 74.43 110.778 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.77 145.2 50.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.338 0.655 . . . . 70.03 111.049 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.53 127.99 34.22 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.949 0.5 . . . . 70.13 110.97 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -69.53 144.35 53.16 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.427 0.691 . . . . 75.22 110.907 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.2 pt -72.26 145.77 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.115 0.566 . . . . 63.23 111.285 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 CA--C 1.57 1.748 0 C-N-CA 123.233 0.613 . . . . 61.41 111.579 -175.169 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.418 0.151 . . . . 71.31 111.147 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.12 141.9 13.06 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 123.091 0.377 . . . . 64.35 112.449 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -153.61 72.52 0.92 Allowed 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.257 0.551 . . . . 72.41 110.758 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -145.09 112.99 6.38 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.983 0.913 . . . . 52.33 109.77 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -126.07 116.19 21.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.692 0.797 . . . . 72.44 110.142 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -133.84 133.45 41.6 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.0 0.92 . . . . 70.41 110.937 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -143.88 78.72 1.6 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.983 0.913 . . . . 74.23 109.515 170.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -74.06 89.38 1.95 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.109 0.48 . . . . 75.2 109.861 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -112.34 162.34 15.65 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.075 0.95 . . . . 73.25 111.86 -172.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -83.91 137.25 33.75 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.693 0.797 . . . . 74.43 111.222 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -157.16 152.8 26.74 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.955 0.902 . . . . 73.12 108.819 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -50.0 124.35 9.9 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 124.092 0.957 . . . . 70.04 113.024 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -65.21 93.68 0.14 Allowed 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 122.008 0.909 . . . . 73.03 111.663 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 p -146.22 104.23 3.78 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.97 0.908 . . . . 70.13 109.808 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.3 m -79.05 69.98 5.32 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.717 0.77 . . . . 73.1 110.689 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -144.11 124.29 13.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.415 1.086 . . . . 72.32 110.559 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.28 138.81 42.11 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.318 -0.993 . . . . 75.4 108.318 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -65.53 93.2 0.15 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.263 0.625 . . . . 73.23 111.028 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.32 -36.85 24.1 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.057 0.943 . . . . 62.55 111.31 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -85.31 64.61 8.76 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 121.949 0.88 . . . . 71.32 110.324 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.12 92.64 9.22 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.559 0.744 . . . . 74.45 110.342 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -74.88 173.73 10.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 52.11 111.55 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -51.99 -44.08 63.9 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.153 0.981 . . . . 74.51 112.229 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -68.55 -41.63 79.53 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 124.602 1.161 . . . . 73.41 112.551 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.11 -39.67 79.26 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.372 0.669 . . . . 64.41 111.912 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.33 -39.84 95.67 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.61 0.764 . . . . 75.23 111.703 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -71.69 -36.81 70.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.364 0.666 . . . . 75.11 112.343 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -48.71 72.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.944 0.498 . . . . 52.53 110.916 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.41 -28.09 69.75 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.687 -0.688 . . . . 74.13 111.396 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.53 92.74 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.029 0.532 . . . . 72.23 111.734 174.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.57 -5.18 59.1 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.199 0.6 . . . . 74.43 112.585 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 61.77 49.01 5.09 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.599 1.16 . . . . 73.43 110.97 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 49.7 mm -70.82 126.65 92.19 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.591 0.757 . . . . 72.13 109.337 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 25.7 Cg_exo -64.74 -10.27 24.21 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.12 2.546 . . . . 64.44 114.968 -174.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.16 151.85 43.96 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 123.494 0.718 . . . . 52.43 111.259 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.79 143.71 74.76 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 121.997 1.798 . . . . 51.11 109.968 159.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 68' ' ' ILE . 73.5 t -58.86 -32.81 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 113.09 0.774 . . . . 63.13 113.09 -173.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.52 -35.07 60.28 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 112.349 0.5 . . . . 74.41 112.349 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -55.8 -51.24 68.16 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.27 0.628 . . . . 74.2 111.923 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -62.65 -37.44 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 123.59 0.756 . . . . 72.55 110.6 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.03 -40.63 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.883 0.873 . . . . 64.05 111.956 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 82.4 m-20 -76.72 -24.86 53.07 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.495 0.554 . . . . 63.33 112.495 -175.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 108.54 23.82 Favored Pre-proline 0 CA--C 1.566 1.565 0 C-N-CA 123.265 0.626 . . . . 71.32 111.636 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 6.4 Cg_exo -74.41 -172.0 1.07 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 123.009 2.472 . . . . 55.54 112.125 172.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -53.33 -56.56 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 113.285 0.846 . . . . 70.15 113.285 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.83 -52.87 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 121.109 0.48 . . . . 53.33 111.931 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 6.0 m-20 -67.87 -38.97 83.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.616 0.767 . . . . 72.13 112.987 -174.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.19 -43.17 64.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.107 0.563 . . . . 55.14 112.309 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -56.1 -27.09 52.39 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.927 0.714 . . . . 53.51 112.927 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.01 -48.74 75.36 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.594 0.758 . . . . 74.53 112.217 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.4 tpt -70.58 -43.45 69.39 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.301 0.64 . . . . 45.54 111.662 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.401 ' SD ' ' NH2' ' A' ' 66' ' ' ARG . 56.9 ttp -65.32 -31.73 73.01 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.635 0.774 . . . . 73.41 111.691 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 t -70.97 -41.41 71.06 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.582 0.753 . . . . 73.54 111.015 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -64.7 -49.23 71.71 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.406 -1.27 . . . . 65.22 111.673 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.48 130.5 19.44 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.284 0.634 . . . . 74.34 109.93 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.52 153.9 41.86 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.861 0.864 . . . . 71.44 112.994 -173.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -120.22 156.17 31.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.296 1.038 . . . . 71.43 108.392 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.66 156.72 38.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.33 0.252 . . . . 73.53 111.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.18 -33.87 71.44 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.565 0.746 . . . . 74.22 112.764 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.38 95.98 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.617 0.767 . . . . 61.14 111.82 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -69.39 -54.31 15.07 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.193 0.997 . . . . 74.21 111.136 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD22 HH12 ' A' ' 66' ' ' ARG . 82.4 mt -62.47 -27.74 69.34 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.825 0.85 . . . . 72.43 112.655 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.21 -59.52 4.55 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.765 0.826 . . . . 73.43 111.735 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.67 -45.11 85.99 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.716 0.806 . . . . 75.03 111.272 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.93 -35.76 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 123.817 0.847 . . . . 71.01 112.39 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.619 HH12 HD22 ' A' ' 62' ' ' LEU . 59.2 mmt-85 -64.34 -51.15 64.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 110.116 -0.328 . . . . 75.04 110.116 175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 22.5 m-20 -59.42 -38.35 80.42 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.009 0.924 . . . . 64.53 112.409 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -61.62 -45.71 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.393 0.677 . . . . 72.31 111.13 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.92 -30.1 71.07 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.22 0.608 . . . . 74.31 112.079 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 22.9 mmt85 -65.11 -47.75 76.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.766 0.426 . . . . 73.13 110.235 173.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 11.3 mmm180 -75.23 -24.9 57.75 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 116.104 -0.498 . . . . 72.54 111.05 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.95 -170.5 44.17 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 115.516 -0.766 . . . . 33.11 112.606 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -92.4 57.97 3.1 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-O 121.65 0.738 . . . . 63.33 112.75 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -82.2 70.04 9.05 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.974 0.893 . . . . 61.01 109.614 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.34 101.46 10.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.419 -0.809 . . . . 63.25 109.047 176.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.7 t -66.25 -45.56 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.912 0.885 . . . . 73.1 111.625 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.51 108.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.834 1.254 . . . . 62.25 111.257 -172.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 73.73 149.36 0.1 Allowed 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 125.365 1.466 . . . . 72.03 112.457 -172.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -125.08 138.81 54.18 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.509 0.724 . . . . 74.21 111.673 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -135.71 107.52 7.05 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.973 0.909 . . . . 75.31 109.898 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.4 m -143.01 80.38 1.68 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.567 0.747 . . . . 60.13 111.195 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -154.35 -1.9 0.18 Allowed 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.46 0.704 . . . . 75.14 112.586 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.98 76.96 2.19 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.645 0.736 . . . . 64.05 111.108 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -101.85 100.18 10.48 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.938 0.895 . . . . 75.44 109.128 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -153.32 172.48 16.96 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.164 0.586 . . . . 73.05 111.889 -171.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.42 95.52 4.46 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.598 -0.728 . . . . 64.43 109.328 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -110.72 150.89 28.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.462 0.705 . . . . 70.53 110.55 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -77.29 170.07 17.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.501 0.72 . . . . 73.42 112.817 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.2 tt -152.05 142.07 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.604 0.762 . . . . 72.2 110.357 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.577 1.981 0 C-N-CA 123.427 0.691 . . . . 70.11 111.472 176.736 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.261 0.553 . . . . 74.05 109.614 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -72.07 177.65 4.26 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.276 1.03 . . . . 50.3 112.481 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.73 -36.52 72.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.521 0.729 . . . . 74.14 111.564 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' ' 68' ' ' ILE . 5.2 m-20 -62.37 -28.66 69.92 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.958 0.903 . . . . 64.12 111.914 176.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.26 -44.35 65.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.626 0.77 . . . . 73.01 110.051 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.86 -39.13 84.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.761 0.824 . . . . 75.0 111.416 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -71.68 -31.8 67.17 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.209 1.004 . . . . 75.54 111.647 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.74 87.94 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.43 111.025 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -67.57 -38.34 83.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.546 0.738 . . . . 74.3 111.923 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.48 92.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.306 0.643 . . . . 72.33 112.243 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.3 -8.46 50.83 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.425 0.69 . . . . 74.23 112.526 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 59.07 58.99 2.92 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.303 1.041 . . . . 74.31 111.738 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.0 mm -74.16 131.46 80.92 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.834 0.854 . . . . 64.44 110.657 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.01 -6.28 18.71 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 122.784 2.323 . . . . 72.24 114.279 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.452 ' H ' HG22 ' A' ' 33' ' ' ILE . 25.1 m-85 -125.44 150.6 68.21 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.752 0.821 . . . . 73.35 109.36 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.59 157.62 61.08 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 121.996 1.797 . . . . 45.02 113.099 174.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.03 -47.0 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 C-N-CA 125.642 1.577 . . . . 72.53 112.304 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' HD21 ' A' ' 42' ' ' ASN . 1.7 tt0 -57.76 -46.66 84.21 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.859 1.264 . . . . 73.31 112.666 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -69.8 -30.52 68.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.869 0.692 . . . . 65.42 112.869 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -38.33 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.007 0.523 . . . . 53.14 110.767 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mt -77.3 -40.59 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.496 0.718 . . . . 73.43 111.141 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.401 HD21 ' HG2' ' A' ' 38' ' ' GLU . 86.9 m-20 -77.58 -22.19 51.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.425 0.898 . . . . 42.55 113.425 -172.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.96 111.74 44.61 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 122.908 0.483 . . . . 74.43 110.207 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.73 162.41 25.1 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.781 2.321 . . . . 50.42 111.944 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.14 -43.0 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.108 0.563 . . . . 73.41 112.205 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.49 -52.03 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.553 0.741 . . . . 64.52 112.043 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 -37.02 74.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.049 0.94 . . . . 73.03 111.806 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.41 -31.36 71.52 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.475 1.11 . . . . 75.3 111.132 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' MET . 0.9 OUTLIER -56.61 -29.35 62.04 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 112.796 0.665 . . . . 72.0 112.796 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.07 -39.24 92.95 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.965 0.412 . . . . 71.21 110.974 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 1.2 mpt? -66.46 -42.02 88.19 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.695 0.798 . . . . 62.14 111.941 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 49' ' ' ASN . 22.0 ptp -75.2 -17.51 60.35 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 112.112 0.412 . . . . 74.02 112.112 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -68.43 -26.4 65.5 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.956 0.503 . . . . 63.42 111.053 171.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.6 -53.18 4.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.284 0.564 . . . . 73.33 110.782 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -118.47 122.89 43.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.213 1.005 . . . . 44.11 110.706 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.08 144.41 52.14 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.577 0.351 . . . . 73.15 110.732 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.23 130.55 56.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.186 0.594 . . . . 72.34 110.116 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.1 165.6 23.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.648 0.779 . . . . 72.23 111.876 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.8 -38.45 67.32 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.856 0.862 . . . . 70.41 113.246 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.5 69.36 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.68 0.792 . . . . 64.24 111.543 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.64 -46.52 89.43 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.474 0.71 . . . . 70.21 111.485 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.25 -37.25 82.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.759 0.823 . . . . 64.54 112.354 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.199 0.6 . . . . 73.11 111.904 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.05 -48.73 56.69 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.087 0.555 . . . . 73.34 111.568 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.78 -34.0 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.922 0.889 . . . . 63.25 111.202 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -65.5 -48.18 73.45 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.018 0.927 . . . . 60.01 111.029 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -74.09 -47.64 35.05 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.869 0.868 . . . . 71.53 112.477 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG12 ' HB3' ' A' ' 24' ' ' ASP . 51.9 mt -53.15 -48.48 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 124.385 1.074 . . . . 63.43 112.518 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -62.24 -29.71 70.59 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.868 0.867 . . . . 74.53 112.386 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -79.36 -24.91 42.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.473 0.709 . . . . 71.42 112.242 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 . . . . . 0 N--CA 1.479 1.022 0 C-N-CA 122.941 0.496 . . . . 73.21 111.202 -175.089 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 CA--C 1.548 0.9 0 CA-C-O 121.023 0.44 . . . . 73.34 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -68.44 175.15 3.55 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.856 0.862 . . . . 71.12 111.83 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -55.47 -42.57 74.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.545 0.738 . . . . 62.1 112.148 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.531 ' HB2' HG11 ' A' ' 37' ' ' VAL . 4.9 m-20 -77.78 -28.79 50.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 74.21 112.369 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 9.9 mm-40 -60.1 -38.17 82.17 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.893 0.477 . . . . 63.1 110.498 172.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.26 -45.89 89.99 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.408 0.683 . . . . 35.32 110.835 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -66.82 -35.24 79.6 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.381 -0.827 . . . . 74.33 111.309 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -44.62 76.16 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.173 0.989 . . . . 41.4 112.271 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 24.4 mmtp -74.68 -24.53 58.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.658 0.383 . . . . 73.13 110.891 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.63 69.14 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.585 0.754 . . . . 73.51 111.434 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD12 HD22 ' A' ' 64' ' ' LEU . 96.7 mt -92.24 -9.46 42.11 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.733 . . . . 65.22 112.716 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 65.3 58.56 0.85 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 124.724 1.21 . . . . 75.4 112.338 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 35' ' ' PHE . 35.8 mm -75.22 126.51 87.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 123.012 0.525 . . . . 62.11 110.327 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.81 -4.1 13.37 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.314 2.676 . . . . 72.35 114.35 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.675 ' H ' HG22 ' A' ' 33' ' ' ILE . 39.5 m-85 -115.82 158.99 40.76 Favored Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.577 1.151 . . . . 72.12 110.733 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -79.52 143.63 17.23 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 121.864 1.71 . . . . 75.31 111.3 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 24' ' ' ASP . 76.2 t -56.53 -36.03 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.728 0.811 . . . . 74.24 111.861 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -50.81 -51.59 49.39 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.867 0.867 . . . . 74.24 111.608 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.64 -43.74 83.81 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.769 0.655 . . . . 63.32 112.769 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 35' ' ' PHE . 49.7 mt -62.32 -29.19 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 118.794 0.725 . . . . 73.15 111.783 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -69.25 -46.25 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.729 0.412 . . . . 74.35 111.101 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -92.45 0.28 57.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.623 0.972 . . . . 53.23 113.623 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.3 122.71 68.33 Favored Pre-proline 0 N--CA 1.479 1.009 0 N-CA-C 108.953 -0.758 . . . . 71.44 108.953 171.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.71 132.85 54.58 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.392 2.061 . . . . 61.1 111.596 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG13 HH11 ' A' ' 69' ' ' ARG . 76.9 t -52.37 -31.32 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.841 0.856 . . . . 63.1 112.265 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.08 -52.54 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 122.945 0.498 . . . . 33.32 111.154 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.99 -38.64 89.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.843 0.857 . . . . 70.31 111.756 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.74 -37.32 65.12 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.223 -0.444 . . . . 73.32 111.607 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.42 HD21 ' NH1' ' A' ' 69' ' ' ARG . 12.5 m120 -74.56 -32.42 62.41 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 112.043 0.386 . . . . 63.12 112.043 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.4 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.294 0.637 . . . . 73.13 110.49 173.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.9 ttm -69.52 -54.85 12.16 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.085 -0.961 . . . . 71.41 110.446 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.12 -28.72 68.1 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.264 1.426 . . . . 61.03 113.604 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -59.25 -29.78 67.8 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.2 0.6 . . . . 50.41 112.547 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.39 -47.19 4.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.559 0.743 . . . . 73.02 110.798 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.07 83.59 2.93 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.426 0.69 . . . . 60.11 110.089 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.34 160.72 30.67 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.352 -0.84 . . . . 75.45 113.061 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -135.51 168.07 19.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.946 0.898 . . . . 71.43 110.473 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.74 157.43 37.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.256 0.622 . . . . 53.1 110.718 171.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.04 -40.99 74.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.57 0.748 . . . . 53.33 112.732 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.81 -37.24 79.09 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.767 0.827 . . . . 64.44 112.001 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.51 -42.65 95.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.378 0.671 . . . . 75.33 111.436 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 99.4 mt -64.38 -38.13 89.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.538 0.735 . . . . 54.25 112.046 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.48 83.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.063 0.545 . . . . 74.14 111.772 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -69.6 -43.18 73.32 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.299 0.639 . . . . 51.14 111.774 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.73 -34.16 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.632 0.773 . . . . 71.21 111.966 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 86.1 mtt180 -61.83 -40.24 94.62 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.216 0.606 . . . . 75.34 111.422 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.2 -45.78 58.92 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.561 0.744 . . . . 70.04 111.19 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -47.42 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 C-N-CA 123.679 0.792 . . . . 75.43 111.911 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.467 HH11 HG13 ' A' ' 45' ' ' VAL . 68.8 mtm180 -65.42 -29.16 69.81 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.803 0.441 . . . . 72.41 111.757 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -68.51 -24.68 64.69 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.083 0.553 . . . . 72.24 111.296 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 123.297 0.639 . . . . 63.03 111.548 173.141 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt . . . . . 0 CA--C 1.549 0.917 0 CA-C-O 121.034 0.445 . . . . 75.44 111.693 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 p -71.78 173.67 7.9 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.733 -0.667 . . . . 74.14 110.58 170.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -59.66 -36.22 75.98 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.146 0.974 . . . . 70.44 109.657 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.52 -41.21 63.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 113.463 -1.699 . . . . 73.51 111.1 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.96 -38.91 87.58 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.65 0.78 . . . . 72.34 111.636 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.03 -50.23 67.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.482 0.713 . . . . 74.52 111.898 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -69.75 -30.79 68.47 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.879 0.472 . . . . 75.01 111.702 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -54.06 29.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.259 0.624 . . . . 73.44 111.046 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.12 -23.2 64.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.429 0.692 . . . . 54.12 111.76 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.59 85.08 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.301 0.64 . . . . 40.32 111.566 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 64' ' ' LEU . 32.5 mt -83.74 4.21 29.87 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.521 0.728 . . . . 75.34 112.121 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 59.52 49.01 9.02 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.912 1.285 . . . . 73.11 112.148 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.2 119.96 71.26 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 108.527 -0.916 . . . . 75.52 108.527 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.16 -3.81 13.64 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.5 2.133 . . . . 72.53 113.928 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.512 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 23.1 m-85 -123.29 156.84 62.9 Favored Pre-proline 0 CA--C 1.56 1.331 0 C-N-CA 124.12 0.968 . . . . 72.1 110.395 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 158.19 55.31 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 121.844 1.696 . . . . 71.32 112.673 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.72 -44.37 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 124.56 1.144 . . . . 45.23 112.719 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.01 -34.01 69.56 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.362 0.665 . . . . 73.22 112.224 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 62.7 tttp -71.73 -39.98 69.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.932 0.493 . . . . 71.42 112.057 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -42.95 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 121.129 0.49 . . . . 64.53 110.138 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.2 -37.6 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.993 0.917 . . . . 75.13 111.088 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -76.85 -31.59 56.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.673 0.789 . . . . 71.12 112.138 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.78 113.22 30.57 Favored Pre-proline 0 N--CA 1.483 1.2 0 C-N-CA 123.703 0.801 . . . . 72.35 111.732 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.98 163.21 34.71 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.631 2.221 . . . . 63.42 111.834 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.02 -40.14 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.943 0.497 . . . . 71.42 112.267 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.68 -51.11 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 C-N-CA 123.027 0.531 . . . . 63.14 111.517 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.11 -35.15 76.26 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.891 0.876 . . . . 71.05 111.619 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 28.0 t80 -74.73 -32.75 62.21 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.667 -0.697 . . . . 61.4 111.793 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -46.12 89.83 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.879 0.472 . . . . 64.13 110.076 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.61 -46.63 89.02 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.081 0.952 . . . . 72.14 111.237 172.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -60.98 -39.23 88.81 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.54 0.736 . . . . 73.41 111.953 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 47.2 ttp -76.61 -30.52 56.96 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.526 1.131 . . . . 71.32 111.807 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 m -64.03 -34.0 77.03 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.032 0.533 . . . . 73.42 111.612 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -87.87 -52.57 5.21 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.296 0.638 . . . . 63.24 109.782 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.73 111.94 23.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 72.13 111.013 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -81.1 114.4 19.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.205 0.602 . . . . 74.42 110.725 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -101.1 170.14 8.47 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.297 0.639 . . . . 75.41 111.212 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -85.09 158.85 20.31 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.039 0.536 . . . . 73.42 110.494 172.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.48 -34.73 78.96 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.779 0.432 . . . . 70.43 111.88 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.35 71.21 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.305 0.642 . . . . 70.24 111.538 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.9 -54.14 35.44 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.963 0.505 . . . . 72.11 110.678 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.51 -33.15 67.75 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.972 0.909 . . . . 75.12 112.359 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -57.46 -58.7 7.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.507 0.723 . . . . 74.1 111.184 174.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -66.29 -39.2 89.2 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.924 -177.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.464 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 69.3 mt -54.71 -46.61 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.795 0.838 . . . . 54.23 111.664 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.546 HH21 ' HA ' ' A' ' 63' ' ' ALA . 84.9 mtm180 -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.478 -0.328 . . . . 74.24 111.534 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -62.16 -44.57 96.32 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.291 0.636 . . . . 73.24 111.936 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.66 -41.84 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.238 1.015 . . . . 60.41 111.279 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -73.67 -31.05 63.27 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 112.398 0.518 . . . . 73.22 112.398 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 45.4 mtm105 -64.22 -45.25 89.06 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.098 0.475 . . . . 43.44 110.266 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 . . . . . 0 N--CA 1.485 1.307 0 C-N-CA 124.498 1.119 . . . . 55.14 111.64 174.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.2 0.524 . . . . 74.14 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -81.22 175.91 10.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.089 0.956 . . . . 63.23 111.061 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -49.92 -51.38 41.37 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.901 0.88 . . . . 71.23 112.291 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -61.75 -44.27 97.22 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.881 1.272 . . . . 72.11 112.636 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.45 -34.69 74.37 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.304 0.641 . . . . 71.33 112.215 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.58 -33.1 66.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.486 0.715 . . . . 73.12 111.629 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -71.1 -35.58 71.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.417 0.687 . . . . 73.01 110.837 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.78 95.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.802 0.841 . . . . 73.34 110.983 174.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.77 -40.34 79.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.583 0.753 . . . . 71.24 111.481 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.16 94.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.765 0.826 . . . . 74.02 112.677 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.64 -5.09 52.22 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.362 0.665 . . . . 74.24 112.245 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m80 61.84 58.76 1.87 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.245 1.018 . . . . 75.13 112.046 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 35' ' ' PHE . 28.8 mm -70.48 130.8 88.72 Favored Pre-proline 0 CA--C 1.561 1.402 0 CA-C-N 115.371 -0.831 . . . . 75.42 109.774 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -55.98 -23.8 45.18 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.096 2.531 . . . . 72.22 114.451 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.684 ' H ' HG22 ' A' ' 33' ' ' ILE . 37.5 m-85 -113.69 161.35 28.02 Favored Pre-proline 0 CA--C 1.563 1.448 0 C-N-CA 123.967 0.907 . . . . 74.22 112.259 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.86 165.25 31.71 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.831 2.354 . . . . 72.52 111.975 162.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.65 -42.32 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 122.814 0.446 . . . . 71.01 111.778 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.64 -35.66 31.63 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.994 0.918 . . . . 75.32 112.058 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HE3' HD11 ' A' ' 43' ' ' LEU . 59.0 tptt -62.29 -51.95 65.66 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.862 0.865 . . . . 74.04 111.409 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -36.7 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 123.109 0.563 . . . . 73.44 110.996 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.5 -44.55 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.311 0.645 . . . . 63.44 111.458 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.19 -41.41 49.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.134 0.574 . . . . 53.4 112.003 -173.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.589 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.7 mt -64.98 112.71 8.74 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 123.442 0.697 . . . . 63.45 111.778 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.1 151.49 81.54 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.367 2.045 . . . . 63.55 111.304 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -39.1 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 123.719 0.808 . . . . 71.1 112.767 -170.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -59.61 -53.34 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.11 0.564 . . . . 70.04 112.268 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.96 -35.98 77.38 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.39 0.676 . . . . 71.5 111.876 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -68.98 -35.55 76.84 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.035 -0.53 . . . . 74.35 111.23 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -38.29 82.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.094 0.557 . . . . 75.21 111.671 175.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.4 -41.97 75.7 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.79 0.436 . . . . 62.3 111.248 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.9 ttm -59.38 -42.88 92.72 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.555 0.742 . . . . 73.1 111.354 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.8 ttp -72.94 -29.72 63.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.986 1.315 . . . . 72.41 111.792 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.3 t -69.88 -37.78 76.14 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.519 0.727 . . . . 71.52 111.453 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -77.43 -52.94 8.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.706 0.765 . . . . 75.33 110.049 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -105.9 80.19 1.5 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.582 -1.19 . . . . 64.24 109.258 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.5 104.31 2.29 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.745 -0.662 . . . . 52.2 110.965 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.69 166.08 23.93 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.522 0.729 . . . . 74.51 111.041 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.81 152.52 45.2 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.045 0.538 . . . . 74.54 109.98 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.01 -30.04 70.06 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.062 0.764 . . . . 65.54 113.062 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.31 67.17 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.443 0.697 . . . . 71.03 111.377 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.32 -44.2 97.06 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.488 0.715 . . . . 73.33 111.3 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.11 -35.49 80.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.153 0.981 . . . . 63.02 111.53 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.4 80.07 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.363 0.665 . . . . 70.45 112.12 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -67.57 -41.4 84.21 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.985 0.514 . . . . 74.2 110.765 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.53 -38.56 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 C-N-CA 123.627 0.771 . . . . 73.12 111.53 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.68 -51.09 68.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.116 0.484 . . . . 74.21 110.072 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.5 -50.74 70.9 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 114.597 -1.183 . . . . 71.22 111.625 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.5 -39.53 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 C-N-CA 123.933 0.893 . . . . 70.24 112.049 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -71.95 -48.33 46.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.463 0.705 . . . . 75.33 112.12 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.07 -29.07 69.93 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.522 0.729 . . . . 74.41 111.753 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 . . . . . 0 CA--C 1.549 0.914 0 C-N-CA 123.338 0.655 . . . . 71.43 111.724 177.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.314 0.578 . . . . 72.44 110.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.3 p -82.77 177.92 8.43 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.551 0.74 . . . . 74.52 110.663 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -54.87 -42.37 71.95 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.427 0.691 . . . . 72.12 112.114 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.2 m-20 -76.25 -34.44 59.17 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.043 0.537 . . . . 63.42 112.296 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.47 -28.26 68.19 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.291 0.567 . . . . 71.41 111.101 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' THR . 79.1 mt -67.56 -43.79 79.78 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.608 -0.724 . . . . 61.24 111.66 172.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.7 ptp180 -66.77 -34.8 78.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 122.245 0.218 . . . . 75.13 110.801 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.33 98.2 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.3 0.64 . . . . 70.14 111.676 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.82 -36.01 79.9 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.714 0.806 . . . . 62.14 111.866 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.74 77.14 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.014 0.926 . . . . 64.44 113.235 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 64' ' ' LEU . 80.0 mt -108.73 9.26 27.03 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.34 0.656 . . . . 74.3 112.272 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.7 t60 57.61 59.03 3.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.444 1.098 . . . . 72.33 112.452 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.1 mm -69.84 128.1 92.07 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 109.212 -0.662 . . . . 75.44 109.212 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.23 -1.26 6.87 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.67 2.247 . . . . 73.44 114.086 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.597 ' H ' HG22 ' A' ' 33' ' ' ILE . 21.7 m-85 -128.03 155.7 77.4 Favored Pre-proline 0 CA--C 1.56 1.355 0 C-N-CA 124.307 1.043 . . . . 70.05 110.239 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.97 158.16 46.34 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.154 1.902 . . . . 64.11 112.429 165.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 68' ' ' ILE . 47.8 t -58.44 -40.73 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 C-N-CA 123.999 0.919 . . . . 63.42 112.001 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -51.18 -36.15 39.75 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.889 0.876 . . . . 74.22 111.966 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 87.8 tttt -78.57 -38.3 40.57 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.849 0.685 . . . . 63.14 112.849 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.58 -34.45 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 CA-C-N 118.962 0.801 . . . . 72.43 110.159 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.24 -30.86 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.552 0.741 . . . . 73.34 111.551 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -79.03 -22.43 45.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.898 0.479 . . . . 75.14 111.185 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.04 115.07 65.33 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.927 0.891 . . . . 64.0 109.989 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 13.7 Cg_exo -67.51 168.34 18.37 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.53 2.153 . . . . 55.13 112.257 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.443 HG22 ' HD2' ' A' ' 69' ' ' ARG . 58.5 t -60.84 -39.33 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 122.637 0.375 . . . . 51.14 111.441 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.7 -51.41 73.13 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.39 0 CA-C-O 121.239 0.543 . . . . 73.53 111.677 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.9 m-20 -76.21 -34.14 59.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.909 0.883 . . . . 71.34 112.272 -174.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -74.82 -38.17 62.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.359 0.664 . . . . 65.35 111.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.83 -28.32 67.46 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.649 0.38 . . . . 64.11 111.032 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -46.93 80.53 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.361 0.664 . . . . 73.51 109.475 171.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 tpt -58.58 -38.67 78.42 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.735 0.814 . . . . 53.02 111.594 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.0 ttt -72.02 -33.75 68.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.351 0.661 . . . . 71.01 111.815 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -59.79 -40.09 87.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.027 0.531 . . . . 73.04 110.757 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -72.99 -55.68 6.2 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.09 -0.504 . . . . 74.14 111.18 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -123.9 97.0 5.16 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.77 0.828 . . . . 75.42 110.722 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.638 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.48 136.63 44.19 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.771 0.828 . . . . 72.2 110.506 -179.375 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -89.56 172.06 9.24 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.247 0.619 . . . . 72.22 110.399 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -70.02 156.96 38.39 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.973 0.509 . . . . 71.0 110.392 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.79 -40.52 76.07 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.466 0.706 . . . . 72.44 112.787 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.52 -36.42 68.32 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.67 0.788 . . . . 24.23 111.351 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.91 -46.54 84.35 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.063 0.545 . . . . 72.01 111.249 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.94 -41.46 96.31 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.861 0.865 . . . . 64.32 111.632 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -46.39 89.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.688 0.795 . . . . 41.42 111.246 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 31' ' ' LEU . 39.4 tp -63.5 -41.34 98.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.273 -0.876 . . . . 74.21 112.458 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -32.39 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 124.062 0.945 . . . . 32.43 111.738 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -67.14 -42.06 85.02 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.196 0.599 . . . . 71.22 110.927 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -68.21 -29.75 68.66 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.356 1.062 . . . . 73.44 111.479 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 37' ' ' VAL . 42.8 mt -74.66 -39.82 46.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.33 0 C-N-CA 124.017 0.927 . . . . 65.34 111.051 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HD2' HG22 ' A' ' 45' ' ' VAL . 58.6 ttp180 -73.06 -36.73 66.94 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.887 0.875 . . . . 72.11 112.698 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -23.69 67.47 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.819 0.448 . . . . 65.51 112.077 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? . . . . . 0 CA--C 1.559 1.308 0 C-N-CA 123.963 0.905 . . . . 74.02 109.93 174.733 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 113.532 0.938 . . . . 75.25 113.532 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -70.3 175.23 4.81 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.539 0.736 . . . . 72.45 111.827 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -64.73 -33.98 77.25 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.085 0.469 . . . . 74.13 109.99 176.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 18.2 m-20 -68.27 -35.79 78.42 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.904 0.882 . . . . 72.25 111.981 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.84 -35.19 77.54 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.462 0.705 . . . . 65.4 111.109 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.53 -36.41 76.36 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.567 0.747 . . . . 71.13 111.747 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 77.2 mtp180 -67.89 -34.61 76.99 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.62 0.768 . . . . 65.12 110.668 174.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.99 78.68 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.804 0.842 . . . . 44.32 110.975 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.6 -44.56 96.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.761 0.824 . . . . 75.41 111.361 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.13 76.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.831 0.852 . . . . 53.41 112.162 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.04 -6.96 40.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.61 0.764 . . . . 75.41 112.186 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.8 m80 61.81 58.57 1.93 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.759 1.224 . . . . 75.44 112.078 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 65' ' ' ILE . 23.8 mm -87.71 120.11 70.85 Favored Pre-proline 0 CA--C 1.559 1.317 0 CA-C-N 115.401 -0.818 . . . . 54.31 109.589 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.65 -37.42 91.19 Favored 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 123.248 2.632 . . . . 73.43 114.092 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -101.64 139.54 20.46 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 123.881 0.872 . . . . 71.22 111.064 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.08 164.23 25.88 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.079 2.519 . . . . 55.54 113.118 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.517 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -60.74 -32.27 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.68 0.792 . . . . 71.55 111.437 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -52.97 -41.75 64.86 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 123.738 0.815 . . . . 70.24 111.554 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 mmpt? -73.97 -33.44 63.87 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.327 0.862 . . . . 71.02 113.327 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 37' ' ' VAL . 3.5 mp -58.56 -40.46 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 119.071 0.85 . . . . 73.25 110.172 173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.57 -38.11 25.5 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 C-N-CA 123.67 0.788 . . . . 74.3 112.316 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -77.95 -40.46 39.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 112.956 0.725 . . . . 63.32 112.956 -173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.2 135.5 96.2 Favored Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 112.517 0.562 . . . . 73.44 112.517 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -70.76 150.72 62.55 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 123.285 2.657 . . . . 75.0 113.037 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.01 -53.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 114.084 1.142 . . . . 63.42 114.084 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 t -62.18 -54.45 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 111.822 0.304 . . . . 72.22 111.822 -174.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.69 -34.13 76.5 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.67 0.788 . . . . 75.31 111.615 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.69 -40.07 76.57 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 115.26 -0.882 . . . . 63.34 111.746 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.95 -35.33 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.925 0.49 . . . . 61.45 111.133 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 46' ' ' VAL . 30.2 mm-40 -65.76 -31.97 73.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.199 0.599 . . . . 55.11 111.763 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.8 ttm -67.96 -44.53 76.51 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.978 0.511 . . . . 74.01 110.877 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.85 -29.55 64.51 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.827 0.451 . . . . 72.43 112.091 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 t -70.02 -55.49 9.41 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.533 0.733 . . . . 34.11 111.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -74.94 -51.37 13.92 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.905 -1.043 . . . . 72.43 110.098 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.12 81.44 8.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.651 -0.87 . . . . 63.12 108.651 170.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.52 120.32 13.77 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.911 -0.586 . . . . 74.03 112.071 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 68.6 m-85 -98.52 162.7 13.01 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.579 0.751 . . . . 73.45 111.213 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -69.76 161.74 29.2 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.131 0.572 . . . . 72.32 111.315 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.47 -35.07 71.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.101 0.56 . . . . 75.41 112.199 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.6 76.42 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.786 0.834 . . . . 73.23 111.667 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 48.1 mt-30 -61.57 -51.08 70.04 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.279 0.631 . . . . 75.41 111.591 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 66' ' ' ARG . 99.1 mt -62.71 -28.16 69.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.197 0.999 . . . . 71.23 112.974 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.05 85.17 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.123 0.569 . . . . 72.15 112.258 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.5 tp -76.36 -53.89 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.029 0.531 . . . . 70.42 110.96 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 33' ' ' ILE . 79.9 mt -52.83 -54.49 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.647 1.179 . . . . 74.24 112.478 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD3' ' HB3' ' A' ' 62' ' ' LEU . 11.3 mtp180 -69.76 -35.46 74.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.081 0.952 . . . . 74.53 112.863 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.65 -34.93 70.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.153 0.581 . . . . 55.02 112.455 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG21 HG13 ' A' ' 37' ' ' VAL . 62.3 mt -70.42 -30.02 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.714 0.406 . . . . 63.04 110.178 171.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -72.41 -29.51 63.79 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.318 0.647 . . . . 72.45 111.711 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 39.1 mmt180 -63.96 -44.38 92.94 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.876 0.47 . . . . 74.12 111.614 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 . . . . . 0 N--CA 1.485 1.308 0 C-N-CA 123.092 0.557 . . . . 71.13 111.28 176.478 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 114.272 1.212 . . . . 72.22 114.272 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 69.7 p -76.97 166.96 22.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.704 -1.134 . . . . 75.3 109.954 166.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.36 -23.24 67.22 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.482 0.313 . . . . 74.41 111.063 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.49 -35.12 79.95 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 123.278 0.631 . . . . 60.41 111.667 170.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 37' ' ' VAL . 35.3 mt-10 -76.38 -34.86 58.87 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.623 0.369 . . . . 42.35 111.764 173.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 22' ' ' THR . 85.5 mt -66.95 -42.64 84.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.282 0.633 . . . . 70.3 111.892 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -68.02 -30.45 69.69 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.268 0.627 . . . . 75.34 111.257 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -64.65 -31.39 72.59 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.719 0.808 . . . . 64.54 112.529 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.39 -31.65 72.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.259 0.623 . . . . 71.2 111.829 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.86 93.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.723 0.809 . . . . 73.52 112.601 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD12 HD22 ' A' ' 64' ' ' LEU . 82.3 mt -100.25 -2.03 34.83 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.459 0.704 . . . . 45.42 112.665 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 60.17 60.98 1.93 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.045 0.938 . . . . 73.44 111.734 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.14 122.88 85.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 122.891 0.476 . . . . 75.14 111.052 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -80.64 1.29 9.41 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.155 2.57 . . . . 64.32 114.896 -174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -114.61 155.43 46.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 C-N-CA 123.109 0.563 . . . . 74.12 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.05 131.61 44.5 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.015 1.81 . . . . 72.32 111.114 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 25' ' ' GLU . 79.7 t -62.22 -35.34 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.177 0.591 . . . . 62.42 111.512 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.24 -49.41 69.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.598 0.759 . . . . 70.11 111.288 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.11 -34.0 72.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.773 0.829 . . . . 70.31 111.841 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.86 -39.75 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 C-N-CA 122.917 0.487 . . . . 54.02 111.32 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.15 -29.32 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 123.062 0.545 . . . . 64.34 111.004 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -84.18 -39.94 18.76 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.506 0.722 . . . . 72.25 112.531 -178.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.0 126.6 81.78 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 122.896 0.478 . . . . 65.14 111.24 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -62.92 149.71 90.68 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.661 2.241 . . . . 72.0 111.697 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.57 -43.28 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 123.41 0.684 . . . . 73.14 111.816 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.98 -45.64 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.512 0.725 . . . . 72.24 112.463 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -73.1 -33.8 65.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.395 0.678 . . . . 71.13 111.391 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.76 -35.14 80.11 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.842 0.857 . . . . 71.3 110.696 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -64.2 -28.32 69.67 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.358 1.063 . . . . 73.13 112.966 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.32 -43.19 78.11 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.258 0.552 . . . . 71.21 110.708 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.0 ttp -66.82 -34.48 77.91 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 70.3 110.997 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.1 -30.81 66.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.719 1.208 . . . . 71.03 111.593 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 t -65.29 -29.69 70.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.088 0.555 . . . . 72.52 111.131 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -85.83 -49.63 7.75 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.749 0.819 . . . . 75.35 109.594 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 101.91 12.73 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.998 0.919 . . . . 71.21 110.017 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -68.97 112.38 5.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.838 0.455 . . . . 75.11 112.169 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.47 148.51 25.43 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.479 0.712 . . . . 74.41 109.989 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -72.13 168.4 18.25 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.989 0.516 . . . . 54.45 111.967 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -48.02 82.41 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.89 1.07 . . . . 74.52 113.89 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.62 -29.45 56.49 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.097 0.559 . . . . 60.13 111.423 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -61.52 -42.11 98.32 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.804 0.842 . . . . 72.23 110.541 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.26 -33.25 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.001 0.92 . . . . 73.04 111.85 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.38 93.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.246 0.618 . . . . 75.35 111.788 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 28' ' ' ALA . 45.0 tp -69.06 -47.37 65.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.145 0.578 . . . . 74.32 111.764 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.9 -47.38 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.198 0.599 . . . . 74.34 110.69 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -66.35 -33.49 75.84 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.634 1.174 . . . . 73.01 111.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -44.09 72.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.341 0.656 . . . . 73.54 110.396 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 37' ' ' VAL . 84.1 mt -65.88 -34.47 70.49 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 124.35 1.06 . . . . 73.31 111.387 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.07 -38.32 88.35 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.927 0.891 . . . . 65.43 111.205 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -79.43 -22.48 44.15 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.528 0.731 . . . . 63.2 112.525 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 122.824 0.45 . . . . 54.34 110.199 174.811 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.332 0.587 . . . . 72.42 111.399 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 p -74.19 178.5 5.05 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.464 1.105 . . . . 75.15 112.144 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -42.23 62.65 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.824 0.85 . . . . 74.33 111.821 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.9 m-20 -70.55 -38.46 74.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.661 0.784 . . . . 53.33 112.361 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.03 -33.04 73.62 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.126 0.57 . . . . 65.42 111.305 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -74.93 -30.0 61.12 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.295 0.638 . . . . 73.03 111.918 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 79.0 mtp180 -66.75 -45.47 78.48 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.311 0.644 . . . . 65.3 110.418 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.81 98.58 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.06 0.944 . . . . 71.54 111.301 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -56.83 -49.26 75.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.11 0.964 . . . . 65.14 111.912 173.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.65 88.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.855 0.862 . . . . 63.32 112.832 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.91 -4.0 33.9 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.402 0.519 . . . . 70.23 112.402 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 65.32 60.55 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.489 1.116 . . . . 60.02 112.599 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 35' ' ' PHE . 42.4 mm -80.0 129.04 71.74 Favored Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 123.449 0.7 . . . . 71.14 109.495 173.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.78 -10.59 26.66 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.536 2.157 . . . . 63.0 114.022 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.503 ' H ' HG22 ' A' ' 33' ' ' ILE . 49.4 m-85 -108.16 155.72 39.66 Favored Pre-proline 0 N--CA 1.485 1.322 0 C-N-CA 123.702 0.801 . . . . 44.01 110.995 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.87 153.62 58.54 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.833 1.689 . . . . 74.41 110.928 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 68' ' ' ILE . 46.2 t -57.57 -29.14 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 123.735 0.814 . . . . 73.21 112.848 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -49.29 -46.39 46.43 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.395 1.078 . . . . 73.11 112.021 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -41.64 93.03 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.244 0.617 . . . . 70.01 112.271 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.401 ' HA ' ' HE2' ' A' ' 48' ' ' PHE . 2.4 mp -73.67 -29.86 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.525 0 C-N-CA 122.768 0.427 . . . . 74.31 110.594 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.43 -46.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 123.418 0.687 . . . . 72.21 111.787 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -82.16 -53.09 6.36 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.392 0.677 . . . . 65.15 112.047 -170.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.43 120.02 40.98 Favored Pre-proline 0 N--CA 1.493 1.68 0 C-N-CA 122.973 0.509 . . . . 72.41 111.562 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.83 160.42 48.44 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.539 2.159 . . . . 62.04 112.844 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.03 -38.52 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.618 0.767 . . . . 75.34 112.726 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.58 -49.67 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 123.08 0.552 . . . . 74.12 111.635 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.53 -34.73 78.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.574 0.75 . . . . 73.31 111.638 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -72.85 -34.36 66.73 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.988 -0.551 . . . . 70.01 111.812 -175.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.08 -40.46 95.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.071 0.549 . . . . 64.43 110.991 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.54 -35.95 70.82 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.766 0.826 . . . . 74.04 111.528 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 tpp -66.69 -39.13 87.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.604 0.762 . . . . 62.41 111.169 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.4 ttp -71.65 -29.71 64.93 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.006 1.323 . . . . 72.32 111.251 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -63.74 -32.61 74.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.504 0.722 . . . . 65.05 111.72 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.36 -53.94 5.62 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.343 0.657 . . . . 64.33 110.967 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.69 87.66 4.76 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 70.42 109.255 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.99 95.81 0.98 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.425 0.69 . . . . 73.32 111.248 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -78.04 162.38 26.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.583 0.753 . . . . 74.23 112.027 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -84.01 159.99 21.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.69 0.796 . . . . 63.11 110.937 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.42 -38.15 58.39 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 114.301 1.223 . . . . 64.32 114.301 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.25 66.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.254 0.621 . . . . 75.55 111.534 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.21 -38.86 80.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.648 0.779 . . . . 62.33 111.585 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -37.04 81.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.654 0.782 . . . . 74.03 111.917 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.26 93.31 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.111 0.564 . . . . 64.43 111.747 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.77 -54.38 23.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.283 0.633 . . . . 73.51 111.926 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.9 mt -58.92 -38.64 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.961 0.904 . . . . 75.02 111.696 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -61.83 -41.97 98.45 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.578 0.751 . . . . 71.55 111.394 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.2 -55.31 22.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.41 0.684 . . . . 63.22 111.522 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.623 HG21 HG13 ' A' ' 37' ' ' VAL . 76.1 mt -67.17 -36.23 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.817 0.847 . . . . 64.15 112.18 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -63.93 -45.2 90.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.321 0.648 . . . . 75.33 110.71 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -71.5 -22.48 61.79 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 115.631 -0.713 . . . . 63.55 111.432 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 . . . . . 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 72.2 110.696 176.402 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 121.078 0.466 . . . . 73.2 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.0 p -75.97 178.54 6.19 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.051 0.94 . . . . 40.34 112.616 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.72 -39.96 82.34 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.466 0.65 . . . . 71.11 110.775 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.55 -29.94 67.63 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.382 -0.826 . . . . 74.34 112.311 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.64 -26.8 68.81 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 122.885 0.474 . . . . 62.31 112.033 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.41 -51.33 37.47 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 122.875 0.47 . . . . 61.32 111.146 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -73.57 -30.75 63.23 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.639 0.776 . . . . 75.01 112.131 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -69.85 -49.03 56.43 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.601 0.76 . . . . 71.04 111.049 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 2.8 ttmp? -68.47 -24.04 64.65 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.891 0.876 . . . . 70.24 111.281 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -44.45 68.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.495 0.718 . . . . 71.23 111.786 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD12 HD22 ' A' ' 64' ' ' LEU . 62.7 mt -83.52 -4.38 58.48 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 123.197 0.599 . . . . 73.22 111.949 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.13 58.75 0.55 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.19 1.396 . . . . 72.04 112.456 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' PHE . 36.6 mm -70.04 123.72 89.31 Favored Pre-proline 0 CA--C 1.565 1.533 0 C-N-CA 123.325 0.65 . . . . 63.1 109.559 170.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.72 -16.41 37.1 Favored 'Trans proline' 0 N--CA 1.506 2.24 0 C-N-CA 123.529 2.819 . . . . 74.13 114.839 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' ILE . 88.9 m-85 -115.43 164.86 15.8 Favored Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.156 0.983 . . . . 72.14 111.49 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.07 157.36 53.72 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.332 2.021 . . . . 75.12 111.983 160.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.38 -48.88 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 124.152 0.981 . . . . 73.32 112.916 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 47.2 tt0 -68.97 -17.16 63.9 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 112.525 0.565 . . . . 73.34 112.525 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.44 -38.31 87.11 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.903 0.481 . . . . 60.0 110.059 173.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' HG3' ' A' ' 69' ' ' ARG . 2.4 mp -73.01 -42.97 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.893 0.877 . . . . 74.2 110.044 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.2 mt -60.77 -41.85 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.818 0.847 . . . . 70.51 112.223 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -40.42 61.09 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 74.01 110.131 -169.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -73.21 115.56 42.07 Favored Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 123.453 0.701 . . . . 62.24 111.068 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.75 156.29 33.38 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.983 2.455 . . . . 74.34 112.116 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 78.2 t -56.77 -41.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 53.04 112.988 -171.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.12 -45.24 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.024 0.53 . . . . 64.42 111.294 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.05 -39.71 78.98 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.96 0.904 . . . . 71.22 112.349 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.71 -39.61 61.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 71.23 111.261 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 7.1 m-20 -69.52 -27.24 65.01 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 71.21 111.769 176.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.5 -46.02 84.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.373 0.669 . . . . 23.53 110.332 169.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.1 ttm -64.79 -46.13 83.37 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.562 0.745 . . . . 73.53 111.132 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.492 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 1.5 tmt? -63.47 -27.0 68.98 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.571 1.148 . . . . 75.31 112.652 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -62.8 -24.37 67.71 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.428 0.529 . . . . 74.41 112.428 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -111.52 -52.94 2.75 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.263 0.625 . . . . 63.33 110.441 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -91.02 77.5 6.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.641 0.776 . . . . 62.13 110.095 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -78.99 135.15 36.83 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.803 -0.635 . . . . 74.0 111.014 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -92.2 173.18 7.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.46 0.704 . . . . 75.31 109.985 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -70.22 155.21 40.96 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.479 0.312 . . . . 61.21 110.376 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.41 71.09 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.708 1.003 . . . . 65.31 113.708 -171.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.08 60.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.362 0.665 . . . . 73.43 111.752 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -62.84 -40.08 96.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.675 . . . . 72.21 111.329 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.37 -43.56 90.38 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.614 0.766 . . . . 73.22 111.422 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.7 87.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.684 0.794 . . . . 74.23 111.458 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 HD12 ' A' ' 31' ' ' LEU . 36.6 tp -65.25 -44.9 86.66 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.527 -0.76 . . . . 73.4 112.207 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 HG12 ' A' ' 40' ' ' ILE . 19.3 mt -57.77 -46.65 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.602 1.161 . . . . 60.11 112.574 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -64.17 -37.2 86.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.053 -0.522 . . . . 72.11 110.941 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.1 -43.86 94.08 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.283 0.633 . . . . 71.35 111.273 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -40.31 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 124.435 1.094 . . . . 60.24 111.548 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' NH1' ' HA ' ' A' ' 45' ' ' VAL . 85.8 mtm180 -72.95 -29.36 63.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.267 0.627 . . . . 74.44 112.393 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.59 -35.62 81.34 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.274 0.63 . . . . 61.44 111.266 171.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 C-N-CA 123.267 0.627 . . . . 72.22 110.558 172.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 CA--C 1.561 1.385 0 N-CA-C 115.023 1.49 . . . . 71.24 115.023 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -71.33 173.04 8.32 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 115.277 -0.874 . . . . 74.03 110.553 165.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -66.1 -23.78 66.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 122.083 -0.386 . . . . 74.1 112.036 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.88 -40.51 75.65 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.112 0.565 . . . . 62.51 111.058 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 34.5 mt-10 -72.0 -33.95 68.5 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.703 0.801 . . . . 71.45 112.744 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.86 -46.63 88.61 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.998 0.519 . . . . 74.45 111.846 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -73.73 -29.34 62.19 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.159 0.584 . . . . 75.22 112.036 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.44 91.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.592 0.357 . . . . 65.12 111.4 172.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 32.0 mmmt -70.63 -38.05 73.87 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.998 0.519 . . . . 72.44 111.105 176.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.522 0.729 . . . . 73.14 112.37 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 64' ' ' LEU . 85.8 mt -96.05 -0.55 50.26 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 113.149 0.796 . . . . 51.14 113.149 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.55 58.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.964 0.906 . . . . 71.05 112.459 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -79.4 114.41 44.93 Favored Pre-proline 0 CA--C 1.562 1.428 0 N-CA-C 109.13 -0.692 . . . . 74.31 109.13 170.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 -19.29 27.36 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.76 2.307 . . . . 44.12 114.135 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -93.75 159.78 34.0 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.604 0.762 . . . . 75.2 111.452 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.85 154.34 66.97 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.162 1.908 . . . . 73.53 111.066 161.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.88 -30.98 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 123.199 0.599 . . . . 63.55 111.483 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.66 -35.75 77.0 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.23 1.012 . . . . 71.21 111.777 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -61.39 -50.49 72.64 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.765 0.426 . . . . 73.13 111.48 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.94 -38.98 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.048 0.539 . . . . 60.42 110.562 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.31 -53.44 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 123.338 0.655 . . . . 75.43 111.152 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.94 -5.07 49.95 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.627 0.973 . . . . 73.2 113.627 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -112.99 95.65 35.18 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 123.206 0.602 . . . . 71.35 110.422 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.699 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 52.9 Cg_exo -57.11 153.72 37.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.445 2.096 . . . . 65.42 111.392 168.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -47.68 -41.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 C-N-CA 124.079 0.951 . . . . 71.21 113.472 -170.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.47 -42.24 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 123.313 0.645 . . . . 72.24 111.557 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.37 -30.22 61.88 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.986 0.914 . . . . 65.1 111.836 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -72.39 -34.4 67.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.946 0.899 . . . . 71.15 109.776 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -62.62 -27.13 69.0 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.811 0.844 . . . . 73.11 112.563 174.669 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.49 -47.71 81.18 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.177 0.513 . . . . 73.54 110.554 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.6 tpt -69.45 -44.3 71.55 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.313 0.645 . . . . 74.32 111.451 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.552 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 23.7 ttt -65.75 -36.84 84.7 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 124.282 1.033 . . . . 70.23 113.169 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -58.25 -24.62 59.94 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.718 1.006 . . . . 65.44 113.718 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.09 -41.38 25.68 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 113.139 0.792 . . . . 72.4 113.139 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -132.16 -36.05 1.17 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 113.04 0.755 . . . . 75.14 113.04 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.04 172.79 0.23 Allowed 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 125.143 1.377 . . . . 75.01 113.286 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -127.55 171.29 11.75 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.381 1.072 . . . . 73.42 109.739 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.464 HD22 ' NE2' ' A' ' 61' ' ' GLN . 37.0 m-80 -70.65 153.53 42.75 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 122.93 0.492 . . . . 60.22 110.954 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.93 -28.15 69.33 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.342 0.868 . . . . 75.11 113.342 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -71.4 -39.71 70.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.9 0.48 . . . . 45.11 111.424 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.464 ' NE2' HD22 ' A' ' 58' ' ' ASN . 81.4 mt-30 -63.14 -54.49 36.93 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.414 0.686 . . . . 74.44 110.879 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.99 -38.04 64.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.458 1.103 . . . . 62.24 112.748 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.94 -56.47 18.82 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 53.12 111.218 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.595 HD22 HD12 ' A' ' 31' ' ' LEU . 47.9 tp -60.73 -39.25 87.96 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.472 0.709 . . . . 74.43 112.9 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.43 -37.56 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.089 0.956 . . . . 62.15 111.28 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.99 -39.51 83.25 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.737 0.415 . . . . 73.13 111.854 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.93 -49.32 75.22 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.238 0.615 . . . . 75.45 111.654 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.46 -37.48 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.599 0.759 . . . . 62.52 111.668 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -72.06 -35.06 69.19 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.354 0.662 . . . . 71.23 110.768 178.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -71.37 -32.78 68.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.938 0.895 . . . . 72.15 111.321 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 CA--C 1.558 1.279 0 C-N-CA 123.737 0.815 . . . . 74.12 109.611 175.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 113.409 0.892 . . . . 75.23 113.409 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.552 HG22 ' HG2' ' A' ' 25' ' ' GLU . 15.4 t -81.52 178.25 8.47 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.872 0.469 . . . . 64.01 111.131 172.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 26' ' ' LEU . 89.4 mtt180 -56.79 -36.1 69.49 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.41 0.624 . . . . 63.15 111.4 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.2 m-20 -69.48 -37.51 77.3 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.037 -0.983 . . . . 70.13 112.307 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG2' HG22 ' A' ' 22' ' ' THR . 65.7 mm-40 -66.12 -31.73 72.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 122.148 -0.345 . . . . 71.34 111.439 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' ARG . 82.0 mt -65.13 -50.54 65.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.575 0.75 . . . . 72.01 111.623 177.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.51 -30.39 68.23 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.164 0.586 . . . . 63.32 111.881 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.21 0.604 . . . . 72.25 111.405 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.66 -41.51 92.44 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.188 0.595 . . . . 65.5 111.069 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.89 94.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.739 0.816 . . . . 72.15 112.507 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 64' ' ' LEU . 93.5 mt -90.35 -11.96 39.09 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.086 0.554 . . . . 65.43 112.172 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m80 69.22 58.89 0.34 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.97 1.308 . . . . 52.55 113.015 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 12.9 mm -78.06 126.65 83.38 Favored Pre-proline 0 CA--C 1.567 1.631 0 N-CA-C 109.637 -0.505 . . . . 61.24 109.637 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -56.06 -20.9 32.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.525 2.817 . . . . 70.2 115.406 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -128.3 147.24 62.83 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 123.828 0.851 . . . . 74.34 110.804 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.9 162.37 42.39 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.708 2.272 . . . . 61.14 112.69 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 24' ' ' ASP . 88.2 t -61.53 -31.8 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.624 0.77 . . . . 70.54 112.37 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.59 -47.22 49.57 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.878 0.471 . . . . 74.24 110.862 168.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -69.11 -36.61 77.71 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 113.261 0.837 . . . . 75.13 113.261 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 33' ' ' ILE . 3.5 mp -59.14 -34.51 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 CA-C-N 119.022 0.828 . . . . 74.22 110.998 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -83.72 -46.13 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.369 0 C-N-CA 123.124 0.57 . . . . 73.22 111.713 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -76.81 -39.17 52.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.544 0.737 . . . . 62.13 112.647 -166.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.92 110.85 3.33 Favored Pre-proline 0 CA--C 1.56 1.35 0 C-N-CA 123.35 0.66 . . . . 74.12 110.788 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.42 157.84 48.4 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.912 2.408 . . . . 64.43 113.169 -175.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.14 -49.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.827 1.251 . . . . 74.33 114.124 -169.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.62 -58.65 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.496 0.318 . . . . 73.11 111.603 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.87 -35.7 71.33 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.907 0.883 . . . . 72.45 112.847 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.31 -56.23 5.12 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.646 1.178 . . . . 74.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.56 -29.49 65.95 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.848 0.685 . . . . 74.01 112.848 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -25.82 60.73 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.067 0.547 . . . . 74.5 112.086 173.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -74.29 -42.79 58.95 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.6 0.714 . . . . 62.51 110.489 172.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 65' ' ' ILE . 50.7 mtm -78.19 -8.7 58.63 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 113.861 1.06 . . . . 64.53 113.861 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -53.29 -42.08 66.25 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 114.783 1.401 . . . . 74.04 114.783 -167.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.12 -32.31 70.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.169 0.587 . . . . 73.33 112.012 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.94 82.67 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.345 1.458 . . . . 73.24 112.916 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.64 9.18 30.74 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.445 0.698 . . . . 62.13 110.877 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.61 166.46 15.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.39 1.076 . . . . 74.24 111.183 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.469 HD22 ' NE2' ' A' ' 61' ' ' GLN . 34.3 m-80 -95.13 169.38 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.257 0.623 . . . . 42.31 111.195 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -39.32 66.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.935 0.894 . . . . 64.51 113.185 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.33 -34.39 61.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.524 0.73 . . . . 73.42 111.711 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' NE2' HD22 ' A' ' 58' ' ' ASN . 81.4 mt-30 -65.54 -47.44 75.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.437 0.695 . . . . 74.02 111.482 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.1 -48.79 80.32 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.201 0.6 . . . . 60.34 110.89 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.14 71.22 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.537 0.735 . . . . 42.34 112.453 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 31' ' ' LEU . 28.9 tp -66.93 -42.05 86.01 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.91 0.484 . . . . 71.34 111.985 177.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.544 HD13 ' SD ' ' A' ' 52' ' ' MET . 88.0 mt -54.28 -48.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.844 0.858 . . . . 72.02 111.806 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.8 -36.01 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.27 0.628 . . . . 74.22 111.102 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.23 -43.99 95.58 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.411 1.084 . . . . 75.13 111.494 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.479 HD13 HG13 ' A' ' 37' ' ' VAL . 70.9 mt -68.51 -44.91 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.87 0.868 . . . . 74.12 111.16 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -56.16 -27.08 52.97 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.493 1.117 . . . . 72.25 113.908 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -57.43 -43.87 84.19 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 122.543 0.337 . . . . 64.13 111.587 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 C-N-CA 123.134 0.574 . . . . 72.23 111.232 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 122.433 1.111 . . . . 74.33 110.724 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.8 p -80.75 179.02 8.0 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 113.756 -1.565 . . . . 54.32 109.759 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -51.37 -42.7 61.52 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.529 0.937 . . . . 75.15 113.529 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.26 -44.94 88.59 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.437 0.637 . . . . 62.41 111.58 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.24 -29.24 62.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.424 1.09 . . . . 54.21 112.249 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 22' ' ' THR . 84.6 mt -71.39 -34.94 70.84 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.516 0.727 . . . . 52.43 110.81 177.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -71.57 -40.6 69.84 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.785 0.834 . . . . 73.54 110.6 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.14 98.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.451 0.7 . . . . 62.04 111.068 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.59 -33.3 73.81 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.047 0.539 . . . . 74.23 111.167 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.99 97.83 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.704 0.801 . . . . 74.55 112.448 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -103.49 11.03 36.88 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.199 0.6 . . . . 74.53 112.482 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 57.57 55.73 5.43 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.707 1.203 . . . . 74.32 112.882 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.69 120.59 80.62 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.094 0.558 . . . . 72.15 109.697 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.94 -23.6 29.79 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.541 2.16 . . . . 72.44 113.141 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.0 152.32 55.99 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 123.37 0.668 . . . . 72.44 110.761 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.41 165.33 32.99 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 121.704 1.603 . . . . 75.32 111.373 163.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 68' ' ' ILE . 59.1 t -60.94 -37.46 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.267 0.627 . . . . 73.23 110.709 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.23 -48.78 80.33 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 124.583 1.153 . . . . 72.05 111.202 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE3' HD11 ' A' ' 43' ' ' LEU . 60.3 tptt -54.99 -54.99 35.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.225 1.01 . . . . 74.33 112.671 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 65' ' ' ILE . 92.3 mt -59.35 -36.99 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.792 0.837 . . . . 70.43 112.207 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.61 -46.37 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 122.793 0.437 . . . . 63.31 111.427 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -76.03 -15.62 60.1 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.786 0.661 . . . . 71.22 112.786 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD11 ' HE3' ' A' ' 39' ' ' LYS . 75.5 mt -79.54 115.81 56.14 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 122.923 0.489 . . . . 65.04 111.27 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.8 156.94 63.71 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 122.927 2.418 . . . . 60.32 112.051 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.82 -47.64 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.752 0.821 . . . . 64.01 113.033 -169.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -46.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 122.804 0.442 . . . . 73.31 111.763 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 -42.28 98.71 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.921 0.888 . . . . 73.21 111.707 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.74 -36.02 65.12 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.184 -0.916 . . . . 73.04 112.119 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -67.0 -39.52 87.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.13 0.572 . . . . 71.33 110.649 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' HE3' ' A' ' 54' ' ' LYS . 33.4 tt0 -64.64 -39.49 93.8 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.024 -0.534 . . . . 71.43 110.322 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.66 -45.61 89.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.793 0.837 . . . . 51.54 112.134 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -75.18 -16.96 60.47 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 112.253 0.464 . . . . 62.21 112.253 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.6 m -82.21 -16.45 49.61 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.75 0.42 . . . . 73.34 111.825 173.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' HE3' ' HG2' ' A' ' 50' ' ' GLU . 94.9 mttt -92.05 -48.38 6.77 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.575 0.75 . . . . 74.15 110.18 172.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -128.4 97.17 4.64 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.476 1.11 . . . . 73.42 109.252 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.8 156.07 19.17 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.564 0.579 . . . . 73.54 112.564 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -126.17 177.05 6.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.665 0.786 . . . . 75.13 110.578 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.482 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 24.9 t-20 -69.76 155.45 40.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.308 0.643 . . . . 74.2 111.614 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.92 -38.95 83.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.907 0.883 . . . . 62.42 112.704 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.23 80.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.377 0.671 . . . . 61.23 111.617 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 45.3 mt-30 -64.58 -49.98 69.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.96 0.504 . . . . 65.43 110.797 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 88.6 mt -61.79 -32.95 73.27 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.914 0.885 . . . . 75.24 111.779 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.37 88.29 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.279 0.632 . . . . 73.54 111.634 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.8 -45.21 94.85 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.164 0.586 . . . . 64.41 111.594 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 40' ' ' ILE . 62.3 mt -54.12 -42.1 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.42 1.088 . . . . 75.52 112.301 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 61.4 mtt180 -58.04 -42.45 85.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.254 0.622 . . . . 54.23 111.075 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.46 -39.77 85.35 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.036 0.535 . . . . 62.12 111.136 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 HG13 ' A' ' 37' ' ' VAL . 81.0 mt -61.87 -43.12 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.755 0.822 . . . . 75.2 111.054 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -59.57 -43.42 93.63 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.868 0.867 . . . . 73.23 111.634 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.85 -22.21 56.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.719 0.808 . . . . 75.21 112.08 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 N--CA 1.489 1.491 0 C-N-CA 124.104 0.962 . . . . 75.41 111.154 177.808 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 CA--C 1.556 1.183 0 CA-C-O 121.386 0.612 . . . . 65.2 111.667 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 p -83.59 176.03 9.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 63.4 110.8 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.84 -27.18 67.89 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 122.915 0.486 . . . . 71.23 112.234 175.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.9 m-20 -73.36 -47.67 40.39 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.647 0.779 . . . . 45.13 110.651 173.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.13 -33.33 73.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.918 0.487 . . . . 44.45 111.707 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.09 72.93 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.353 0.661 . . . . 45.24 112.348 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.2 ptp180 -72.4 -33.5 67.21 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.864 0.302 . . . . 62.02 110.628 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.64 78.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.367 0.667 . . . . 54.11 110.827 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -59.68 -32.03 70.11 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.531 1.132 . . . . 71.32 112.127 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.66 92.27 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.555 0.742 . . . . 54.2 112.451 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.97 9.6 42.36 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.959 0.504 . . . . 72.15 112.28 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.69 49.37 3.0 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.993 0.917 . . . . 61.21 112.752 168.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 35' ' ' PHE . 38.7 mm -70.58 123.2 88.65 Favored Pre-proline 0 CA--C 1.564 1.482 0 C-N-CA 123.188 0.595 . . . . 72.34 110.112 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.29 -9.43 10.6 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.511 2.807 . . . . 60.42 115.373 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' H ' HG22 ' A' ' 33' ' ' ILE . 64.8 m-85 -124.34 155.43 68.49 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.992 0.917 . . . . 71.54 111.364 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.22 161.85 41.13 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.768 2.312 . . . . 51.33 113.102 168.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 68' ' ' ILE . 33.9 t -64.6 -42.84 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 123.404 0.682 . . . . 62.12 110.993 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -47.3 -37.24 10.46 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.632 1.173 . . . . 73.13 112.081 171.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.64 -55.33 13.71 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.314 0.646 . . . . 71.55 112.362 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.39 -37.83 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 C-N-CA 123.114 0.566 . . . . 72.22 111.703 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.82 -39.86 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.126 0.571 . . . . 75.21 112.287 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -90.97 -4.25 56.62 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.383 0.512 . . . . 65.5 112.383 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.25 112.4 47.64 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.422 0.689 . . . . 73.51 110.508 168.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.82 154.87 73.07 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.649 2.233 . . . . 74.14 111.831 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.79 -48.16 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 C-N-CA 123.72 0.808 . . . . 53.12 113.091 -170.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.65 -39.47 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.333 0 C-N-CA 123.008 0.523 . . . . 55.14 111.973 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.75 -37.19 59.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.511 0.725 . . . . 72.15 112.153 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -72.79 -42.39 63.95 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.728 -0.214 . . . . 74.34 110.959 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -65.18 -28.45 69.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.237 0.615 . . . . 71.53 111.413 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -63.78 -49.21 73.83 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.491 0.716 . . . . 75.44 109.509 170.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -63.16 -40.53 97.82 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.926 1.29 . . . . 64.2 111.849 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -75.7 -29.94 59.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.346 1.459 . . . . 75.34 111.391 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 t -76.52 -33.71 58.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.332 0.653 . . . . 74.54 111.361 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -68.36 -53.63 22.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.769 0.828 . . . . 72.23 111.649 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -117.54 93.38 4.14 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.966 0.906 . . . . 73.42 109.006 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.79 124.74 28.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.995 -1.002 . . . . 72.15 112.461 -170.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -87.54 170.74 11.06 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.868 0.867 . . . . 71.2 110.85 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -72.66 154.1 40.89 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.023 0.529 . . . . 62.21 110.511 172.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.95 -32.15 73.48 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.078 0.77 . . . . 61.05 113.078 -173.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.9 86.96 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.361 0.664 . . . . 63.12 111.201 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.59 -43.37 98.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 115.764 -0.653 . . . . 64.41 110.873 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.33 -46.28 90.45 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.613 0.765 . . . . 62.53 111.865 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.36 73.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.767 0.827 . . . . 73.51 112.101 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 tp -69.14 -47.87 63.88 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.876 -0.602 . . . . 74.31 112.205 175.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.86 -32.82 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.499 0.719 . . . . 65.14 111.469 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.69 -46.5 88.87 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.323 0.649 . . . . 63.11 110.931 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.29 -43.93 92.53 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.317 0.647 . . . . 52.52 111.712 175.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.752 HG23 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -58.79 -46.91 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 124.265 1.026 . . . . 73.3 111.877 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -39.7 68.23 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.501 0.721 . . . . 73.43 110.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -64.86 -30.07 71.05 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.748 0.819 . . . . 72.04 112.603 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 122.921 0.489 . . . . 75.33 111.549 175.796 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 113.792 1.034 . . . . 63.14 113.792 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -80.2 177.52 8.9 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.725 -0.67 . . . . 73.02 109.537 163.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.51 70.94 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.951 -0.468 . . . . 75.5 110.841 176.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.94 -38.95 87.1 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.261 0.625 . . . . 61.52 111.909 173.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.03 -42.86 96.95 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.201 0.601 . . . . 74.12 111.752 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -51.25 68.08 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.163 0.585 . . . . 62.41 111.696 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -68.86 -30.39 68.9 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.139 0.575 . . . . 73.3 111.695 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -52.37 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.953 0.501 . . . . 63.43 111.541 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -68.58 -31.76 71.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.2 111.777 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.98 73.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.664 0.786 . . . . 62.11 111.924 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 64' ' ' LEU . 86.6 mt -97.11 -13.85 21.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.425 0.69 . . . . 55.02 112.087 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 m80 67.24 58.69 0.54 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.481 1.112 . . . . 64.15 112.188 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -68.66 121.2 80.19 Favored Pre-proline 0 CA--C 1.559 1.291 0 N-CA-C 108.54 -0.911 . . . . 72.52 108.54 166.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.01 -27.08 74.01 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.379 2.053 . . . . 71.4 113.515 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HZ ' ' HG2' ' A' ' 51' ' ' MET . 30.6 m-85 -98.0 151.57 37.62 Favored Pre-proline 0 N--CA 1.487 1.392 0 C-N-CA 123.375 0.67 . . . . 72.05 111.106 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.62 153.66 47.66 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.214 1.943 . . . . 72.44 112.244 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.17 -29.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 123.651 0.781 . . . . 30.43 111.584 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.34 -51.69 32.88 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.32 1.048 . . . . 71.31 112.452 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.57 -33.2 75.37 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.713 1.005 . . . . 75.22 113.713 -173.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.29 -29.82 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.596 0 CA-C-O 121.459 0.647 . . . . 71.02 109.788 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.37 -36.74 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.627 0 C-N-CA 124.318 1.047 . . . . 72.42 112.537 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -99.59 -33.83 10.47 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.695 0.998 . . . . 74.33 113.695 -168.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.98 127.73 87.67 Favored Pre-proline 0 N--CA 1.487 1.404 0 CA-C-N 117.94 0.336 . . . . 73.54 110.87 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.56 142.83 96.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.407 2.072 . . . . 40.3 112.523 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.08 -31.53 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 124.872 1.269 . . . . 74.55 113.591 -171.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.85 -49.58 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-O 120.885 0.374 . . . . 73.4 111.331 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.46 -38.09 88.8 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.892 0.877 . . . . 62.22 112.0 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 65' ' ' ILE . 15.6 t80 -73.3 -44.19 59.55 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.045 -0.525 . . . . 71.44 111.386 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.83 -27.47 68.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.147 0.579 . . . . 75.33 111.814 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.13 -46.33 90.99 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.323 0.649 . . . . 73.52 111.706 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.43 ' HG2' ' HZ ' ' A' ' 35' ' ' PHE . 15.4 tpt -56.14 -44.96 79.72 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.372 0.669 . . . . 73.51 111.367 174.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 ttt -64.9 -37.71 88.55 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.366 -0.834 . . . . 71.0 111.787 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -22.56 65.68 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.134 0.574 . . . . 70.01 111.705 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -81.71 -52.08 7.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.597 0.759 . . . . 62.2 110.154 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.43 102.58 4.51 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.838 0.855 . . . . 63.42 110.88 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.01 129.35 37.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.542 0.737 . . . . 73.34 111.253 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.28 -175.67 3.79 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.705 0.802 . . . . 64.15 111.258 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -69.99 157.6 37.19 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.648 0.379 . . . . 75.15 111.147 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.83 -37.91 71.9 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 113.1 0.778 . . . . 73.34 113.1 -174.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.69 64.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.39 0.676 . . . . 62.02 111.844 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.19 -49.97 73.69 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.456 0.702 . . . . 72.15 111.3 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.86 -47.08 83.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.963 0.905 . . . . 73.44 111.951 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.96 75.76 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.4 0.68 . . . . 51.03 111.945 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 HD12 ' A' ' 31' ' ' LEU . 43.1 tp -58.77 -42.23 88.46 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.972 0.73 . . . . 70.54 112.972 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.445 HD13 ' HE1' ' A' ' 48' ' ' PHE . 89.0 mt -52.8 -44.44 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.743 0.817 . . . . 75.32 111.725 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -67.1 -30.08 70.01 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.232 0.613 . . . . 72.24 112.093 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.3 -49.56 18.79 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.85 0.46 . . . . 74.43 111.742 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.02 -35.72 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 63.44 112.433 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -70.84 -26.75 63.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.877 -0.514 . . . . 63.3 111.534 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -66.89 -27.38 67.46 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.462 0.305 . . . . 75.02 111.659 168.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.8 mmt-85 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.075 0.464 . . . . 73.43 110.178 170.486 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.5 mt . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.989 0.423 . . . . 71.23 110.232 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p -74.12 173.49 10.01 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.383 -0.826 . . . . 63.31 110.382 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -55.98 -28.63 57.98 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.447 0.699 . . . . 73.54 112.387 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.38 -44.94 49.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.972 0.909 . . . . 75.51 110.862 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -63.79 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.376 0.671 . . . . 75.12 111.459 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.42 -47.48 76.11 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.741 0.817 . . . . 75.31 112.262 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -70.06 -29.8 66.89 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 122.924 0.489 . . . . 71.12 111.934 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.86 60.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.944 0.498 . . . . 70.32 110.923 173.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.03 -27.64 68.94 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 115.694 -0.685 . . . . 73.53 111.322 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.28 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.661 0.784 . . . . 51.52 111.446 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.637 HD12 HD22 ' A' ' 64' ' ' LEU . 70.9 mt -87.14 12.17 12.21 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.368 0.667 . . . . 60.14 112.141 173.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 63.42 33.99 13.28 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.341 1.056 . . . . 71.51 112.385 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.7 mm -72.97 113.97 26.49 Favored Pre-proline 0 CA--C 1.561 1.386 0 N-CA-C 109.384 -0.598 . . . . 70.03 109.384 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.54 7.32 2.32 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.877 2.385 . . . . 73.41 114.637 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.63 145.74 50.22 Favored Pre-proline 0 N--CA 1.486 1.36 0 C-N-CA 124.303 1.041 . . . . 75.34 110.701 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.87 153.91 74.31 Favored 'Trans proline' 0 C--N 1.387 2.595 0 C-N-CA 122.993 2.462 . . . . 63.42 113.106 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HA ' HD13 ' A' ' 40' ' ' ILE . 55.2 t -51.75 -37.9 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 124.57 1.148 . . . . 44.42 112.578 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.5 tt0 -52.01 -43.06 63.48 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.442 0.697 . . . . 71.03 112.206 175.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' HD11 ' A' ' 43' ' ' LEU . 88.9 tttt -67.4 -41.43 84.96 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.654 0.382 . . . . 74.45 111.751 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 37' ' ' VAL . 4.7 mp -58.46 -45.44 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 122.321 0.248 . . . . 75.04 110.398 174.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 38' ' ' GLU . 93.4 mt -52.22 -41.28 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.898 0.879 . . . . 70.22 111.548 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.26 -41.3 49.38 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.874 0.87 . . . . 73.41 112.577 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' HE2' ' A' ' 39' ' ' LYS . 96.6 mt -69.63 116.09 39.67 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 123.364 0.666 . . . . 45.15 112.145 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.27 167.15 27.06 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.786 2.324 . . . . 73.22 111.626 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.45 -43.04 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 112.864 0.69 . . . . 70.51 112.864 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.18 -51.23 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 122.674 0.389 . . . . 63.12 111.498 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.79 -36.11 78.18 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.431 0.692 . . . . 62.4 111.873 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 25.9 t80 -72.86 -33.71 66.27 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.816 -0.629 . . . . 72.51 111.558 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.448 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -66.61 -30.1 70.3 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.089 0.555 . . . . 71.01 111.35 177.027 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -67.42 -39.74 85.48 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.885 0.474 . . . . 75.13 111.009 171.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.7 tpt -60.75 -54.57 43.6 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.19 0.596 . . . . 53.44 111.438 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HG3' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -74.22 -15.89 60.98 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.287 0.477 . . . . 64.55 112.287 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -59.36 -51.67 68.92 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.739 0.78 . . . . 62.44 110.474 172.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -65.44 -47.92 74.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.002 -1.454 . . . . 75.23 111.305 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -146.41 115.73 7.07 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.712 0.805 . . . . 63.41 110.7 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -81.88 144.46 30.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.32 1.048 . . . . 75.22 112.244 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.99 163.44 12.44 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.868 0.867 . . . . 75.11 110.009 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -70.09 153.52 43.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.865 0.466 . . . . 70.35 111.158 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.39 -34.15 74.86 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.924 0.713 . . . . 70.22 112.924 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.04 81.06 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.526 0.731 . . . . 55.32 111.724 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.89 -50.53 62.16 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.627 0.771 . . . . 64.32 110.474 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.28 -34.04 73.18 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.018 0.927 . . . . 72.33 112.085 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.58 78.9 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.834 0.854 . . . . 62.22 111.688 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 31' ' ' LEU . 60.8 tp -62.33 -46.21 89.72 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.505 0.722 . . . . 74.02 111.607 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.429 HG23 HG23 ' A' ' 40' ' ' ILE . 98.0 mt -59.01 -43.0 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.716 0.806 . . . . 73.4 112.166 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -62.97 -46.26 88.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.51 110.741 175.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.7 -47.95 80.93 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.231 1.012 . . . . 72.32 111.937 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.421 HD13 HG13 ' A' ' 37' ' ' VAL . 87.1 mt -61.95 -45.16 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.307 1.043 . . . . 71.24 111.569 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.06 -26.71 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.37 0.668 . . . . 74.42 112.334 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.47 -18.82 62.28 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.018 0.747 . . . . 75.21 113.018 172.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? . . . . . 0 N--CA 1.494 1.734 0 C-N-CA 122.754 0.422 . . . . 74.35 111.16 171.448 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 120.569 0.224 . . . . 73.32 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -66.2 168.01 9.29 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.279 -0.419 . . . . 52.1 110.351 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.41 -20.94 21.99 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.083 0.771 . . . . 72.14 113.083 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.7 m-20 -63.83 -53.97 42.32 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.543 0.737 . . . . 64.3 111.32 172.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -65.4 -27.07 68.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.891 -0.506 . . . . 74.34 112.168 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.67 -40.34 66.36 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.399 0.518 . . . . 74.3 112.399 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 9.0 ptm180 -70.99 -33.23 70.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.465 0.306 . . . . 73.34 110.3 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -63.92 -48.72 75.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.296 0.639 . . . . 62.03 111.075 173.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.37 -26.48 68.77 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.605 1.162 . . . . 63.54 112.415 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.06 94.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.34 0.656 . . . . 70.22 111.657 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HD22 ' A' ' 64' ' ' LEU . 83.4 mt -94.14 10.23 34.64 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.331 0.652 . . . . 75.4 112.356 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.37 36.57 8.96 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.526 1.13 . . . . 74.13 113.184 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 35' ' ' PHE . 49.6 mm -61.95 124.26 81.07 Favored Pre-proline 0 CA--C 1.563 1.453 0 C-N-CA 123.464 0.706 . . . . 53.52 110.051 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.41 -8.65 20.94 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.653 2.235 . . . . 65.3 113.651 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' H ' HG22 ' A' ' 33' ' ' ILE . 40.0 m-85 -112.02 151.08 43.31 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.699 0.799 . . . . 62.32 111.325 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -64.66 161.16 36.81 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.339 2.026 . . . . 62.21 111.941 165.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 68' ' ' ILE . 44.5 t -62.42 -40.51 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.681 0.792 . . . . 73.21 111.544 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.14 -35.7 67.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.252 0.621 . . . . 75.33 112.264 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 43' ' ' LEU . 57.8 tptt -63.26 -45.87 89.49 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.239 0.616 . . . . 74.22 112.0 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.45 -41.4 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.238 0.615 . . . . 75.3 110.61 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.29 -43.0 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.621 0.768 . . . . 73.31 111.803 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -77.15 -21.92 53.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.29 0.636 . . . . 73.42 112.634 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 39' ' ' LYS . 94.6 mt -88.62 108.39 22.6 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-O 119.064 -0.493 . . . . 75.41 110.001 172.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.55 159.83 30.53 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.684 2.256 . . . . 64.13 111.69 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.97 -36.12 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 123.013 0.525 . . . . 64.31 112.207 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.67 -52.86 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-O 121.42 0.629 . . . . 64.44 111.696 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.77 -40.73 75.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.965 0.906 . . . . 62.05 111.795 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -69.09 -34.32 74.92 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.499 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.47 -36.4 78.19 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.777 0.431 . . . . 71.43 111.78 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.02 -48.87 72.36 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.515 0.326 . . . . 74.53 110.888 173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.4 tpt -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.379 0.671 . . . . 63.42 111.795 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.8 ttp -74.88 -29.53 61.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.42 1.088 . . . . 61.13 111.605 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -72.54 -46.5 54.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.688 0.395 . . . . 63.11 111.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -46.15 56.45 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.698 0.399 . . . . 63.15 111.201 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.4 82.89 2.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -69.98 101.63 1.83 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.029 0.532 . . . . 74.21 110.923 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.94 167.51 20.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.105 0.562 . . . . 74.22 110.48 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -74.33 151.64 39.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.509 0.324 . . . . 61.32 111.411 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -39.09 61.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.33 1.052 . . . . 72.4 113.527 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.46 71.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.516 0.726 . . . . 42.13 111.82 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -46.78 87.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.495 0.718 . . . . 64.13 111.252 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -38.09 85.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.909 0.883 . . . . 73.41 112.077 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.53 91.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.558 0.743 . . . . 71.01 111.977 175.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 28' ' ' ALA . 56.4 tp -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.085 0.554 . . . . 75.41 111.96 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.11 -39.55 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.594 0.758 . . . . 74.45 111.613 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.45 -35.6 79.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.608 0.763 . . . . 74.33 111.664 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 6.4 t70 -74.91 -37.35 62.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.798 0.332 . . . . 73.24 111.172 177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 37' ' ' VAL . 45.4 mt -64.45 -34.09 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.167 0 C-N-CA 123.467 0.707 . . . . 74.31 111.129 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.524 0.73 . . . . 74.14 112.757 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 2.1 ptm180 -67.8 -35.21 78.24 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 122.574 0.35 . . . . 54.14 111.619 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 122.983 0.513 . . . . 72.04 111.147 176.743 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 114.134 1.161 . . . . 75.5 114.134 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -76.22 173.56 11.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.913 -1.04 . . . . 64.22 110.498 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -56.71 -38.33 72.17 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.41 0.284 . . . . 75.21 111.008 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.74 -47.72 81.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.703 0.801 . . . . 70.31 112.102 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -67.98 -37.41 81.47 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.401 0.519 . . . . 65.42 112.401 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.38 -42.34 98.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.097 0.559 . . . . 53.34 111.576 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -76.76 -37.51 55.78 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.858 0.863 . . . . 71.03 112.061 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -53.2 19.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.798 0.839 . . . . 63.21 112.081 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.52 -23.77 63.64 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.115 0.566 . . . . 75.44 111.218 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.106 0.563 . . . . 64.05 111.791 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD12 HD22 ' A' ' 64' ' ' LEU . 95.5 mt -84.41 -2.33 56.99 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.367 0.667 . . . . 73.11 112.489 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.9 t60 64.07 57.66 1.26 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.555 1.142 . . . . 73.01 111.778 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -82.19 118.79 73.26 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.51 -0.768 . . . . 75.32 109.262 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.98 -1.1 10.77 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.847 2.365 . . . . 75.33 113.839 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.47 156.09 42.77 Favored Pre-proline 0 N--CA 1.481 1.125 0 C-N-CA 123.792 0.837 . . . . 74.34 111.346 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 165.64 28.37 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.287 1.991 . . . . 74.04 112.354 168.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.36 -36.73 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.316 0.646 . . . . 74.52 111.362 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.82 -40.67 89.21 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.983 0.913 . . . . 74.34 112.549 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -47.23 80.58 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.376 0.51 . . . . 75.41 112.376 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.65 -40.65 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.382 0 C-N-CA 123.112 0.565 . . . . 73.22 110.762 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.86 -47.01 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.847 0.859 . . . . 74.11 112.747 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -82.08 -12.22 58.35 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.264 0.838 . . . . 72.04 113.264 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.79 112.5 32.4 Favored Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 123.028 0.531 . . . . 61.1 111.39 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.48 167.68 23.39 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.897 2.398 . . . . 64.53 112.05 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.81 -47.95 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 123.617 0.767 . . . . 64.45 112.977 -171.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.79 -46.94 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.109 0.48 . . . . 70.14 111.206 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.14 -41.5 96.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.434 1.094 . . . . 73.42 112.039 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 67.7 t80 -73.49 -38.77 65.27 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.64 -0.709 . . . . 73.22 112.146 -175.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -38.36 86.33 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.116 0.484 . . . . 75.34 110.603 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.1 -41.69 97.13 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.226 1.01 . . . . 64.43 111.165 171.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 ttt -74.49 -42.33 59.17 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.067 0.766 . . . . 70.4 113.067 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -74.49 -21.53 59.52 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.053 0.39 . . . . 64.24 112.053 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -64.92 -35.56 81.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.224 0.609 . . . . 63.32 111.76 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -98.92 -23.42 15.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.527 0.731 . . . . 71.21 112.057 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -115.93 88.46 2.89 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.816 0.846 . . . . 71.43 109.348 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -81.07 135.53 35.83 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.734 0.414 . . . . 64.51 111.58 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -123.93 171.61 9.57 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.103 0.961 . . . . 75.12 110.158 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.41 159.78 31.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.64 0.376 . . . . 74.44 111.375 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.28 -32.81 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.79 0.663 . . . . 71.43 112.79 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.73 68.2 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.203 0.601 . . . . 31.15 111.335 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -63.03 -48.65 77.81 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.432 0.693 . . . . 64.42 111.012 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.65 -29.79 68.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.652 0.781 . . . . 53.31 112.486 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.15 91.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.089 0.555 . . . . 34.43 111.169 173.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 31' ' ' LEU . 43.3 tp -58.84 -50.46 73.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 115.381 -0.827 . . . . 50.31 111.673 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.509 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 82.3 mt -58.93 -44.2 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.531 0.732 . . . . 72.42 111.844 -176.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.95 -35.77 77.61 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.753 0.421 . . . . 73.14 111.672 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.81 -48.2 69.67 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.585 0.754 . . . . 73.21 111.546 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 122.901 0.48 . . . . 70.21 111.279 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.52 71.42 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.03 0.932 . . . . 71.51 111.109 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -71.24 -27.85 63.76 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.847 0.459 . . . . 72.54 111.435 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 123.435 0.694 . . . . 74.22 111.643 174.713 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.994 0.425 . . . . 43.32 111.63 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -82.7 -179.0 7.29 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.963 0.905 . . . . 63.01 111.725 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -63.27 -41.72 99.06 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.627 0.371 . . . . 63.24 110.318 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.33 -44.7 95.89 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.798 0.839 . . . . 55.3 111.756 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -57.45 -53.31 59.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.535 0.734 . . . . 64.43 112.143 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.72 -41.87 91.84 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 112.724 0.638 . . . . 75.43 112.724 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -76.82 -32.64 57.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.821 0.675 . . . . 74.13 112.821 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.31 65.77 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.847 0.459 . . . . 75.01 111.717 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.86 -24.28 59.72 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.727 0.411 . . . . 72.42 110.764 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.55 -29.68 67.32 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.337 0.655 . . . . 72.4 111.512 167.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' ' 61' ' ' GLN . 92.0 mt -79.86 -3.65 48.81 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.261 0.624 . . . . 71.11 111.796 169.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 64.07 35.25 10.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.621 1.168 . . . . 75.3 111.487 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG21 HD11 ' A' ' 40' ' ' ILE . 48.7 mm -65.02 126.65 91.67 Favored Pre-proline 0 CA--C 1.561 1.377 0 C-N-CA 122.933 0.493 . . . . 73.3 110.232 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.43 -21.14 66.73 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.376 2.718 . . . . 51.42 114.613 -176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' HE1' ' HG2' ' A' ' 51' ' ' MET . 2.1 p90 -129.89 151.38 78.11 Favored Pre-proline 0 CA--C 1.565 1.543 0 C-N-CA 123.731 0.813 . . . . 74.24 112.296 -174.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.9 Cg_exo -58.68 160.86 16.29 Favored 'Trans proline' 0 C--N 1.388 2.625 0 C-N-CA 123.945 3.097 . . . . 70.43 114.595 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 68' ' ' ILE . 93.8 t -59.75 -44.17 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 123.165 0.586 . . . . 63.24 112.48 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp0 -59.02 -27.51 65.53 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.612 0.365 . . . . 73.22 111.922 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.1 tpmt? -71.19 -43.91 66.47 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 119.064 -0.493 . . . . 73.43 110.877 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 33' ' ' ILE . 4.4 mp -57.15 -42.13 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 118.166 0.439 . . . . 75.34 110.319 172.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 38' ' ' GLU . 85.3 mt -58.36 -43.2 85.84 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.391 0 C-N-CA 123.906 0.882 . . . . 63.33 111.899 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -97.3 4.99 50.65 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 113.738 1.014 . . . . 65.11 113.738 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 62.2 mt -101.02 109.74 59.17 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 122.991 0.517 . . . . 74.54 110.807 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -60.46 165.71 10.79 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.684 2.256 . . . . 53.03 112.167 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 -39.2 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 123.443 0.697 . . . . 44.01 112.377 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.88 -51.02 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 123.315 0.646 . . . . 53.42 111.831 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.11 -34.26 75.99 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.031 0.932 . . . . 74.4 112.023 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 14.6 t80 -72.6 -34.98 67.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.476 0.711 . . . . 72.21 110.741 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -68.91 -25.39 64.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.18 0.992 . . . . 73.0 112.713 178.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -56.15 -47.75 77.62 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.89 0.476 . . . . 73.04 110.905 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.402 ' HG2' ' HE1' ' A' ' 35' ' ' PHE . 15.7 tpt -73.26 -43.74 60.54 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.118 0.567 . . . . 62.42 111.242 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 56' ' ' GLN . 47.7 ttm -65.6 -17.04 64.29 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.074 0.95 . . . . 71.22 112.736 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.9 t -55.47 -29.51 58.87 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.246 1.018 . . . . 51.04 112.606 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.2 -52.94 5.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.269 0.627 . . . . 72.5 111.176 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -141.11 141.52 34.19 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.997 0.919 . . . . 70.53 110.439 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.729 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.2 OUTLIER -79.46 6.72 9.57 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.111 0.782 . . . . 72.03 113.111 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 69.23 166.66 0.27 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.16 1.384 . . . . 65.41 112.148 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 58.2 t30 -77.87 153.82 32.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.829 -0.623 . . . . 63.01 110.422 174.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.13 -44.19 95.1 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.913 0.885 . . . . 72.33 111.688 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.28 73.01 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.05 0.94 . . . . 34.45 112.555 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 31' ' ' LEU . 89.8 mt-30 -70.09 -52.38 24.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.318 0.647 . . . . 61.21 110.658 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.34 -30.46 69.55 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.405 1.082 . . . . 75.43 112.614 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -54.27 -46.54 72.7 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.771 0.828 . . . . 63.51 111.728 174.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 tp -76.39 -49.97 15.41 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.442 -0.799 . . . . 75.35 111.715 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.495 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 79.3 mt -52.64 -50.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.606 1.162 . . . . 71.14 113.454 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.415 HH21 ' HA ' ' A' ' 63' ' ' ALA . 77.9 mtm180 -60.14 -43.32 95.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.897 0.479 . . . . 75.22 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.97 -39.57 92.61 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.406 0.682 . . . . 74.43 111.746 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 37' ' ' VAL . 75.1 mt -66.32 -41.67 89.39 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 123.609 0.763 . . . . 73.23 111.766 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -68.28 -41.2 81.37 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.913 0.485 . . . . 74.4 111.75 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -71.98 -24.01 61.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.258 0.623 . . . . 73.51 111.495 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 N--CA 1.483 1.212 0 C-N-CA 123.531 0.732 . . . . 71.04 110.547 173.359 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.703 0.763 . . . . 74.42 109.208 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -73.92 177.66 5.44 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.496 -1.229 . . . . 73.34 112.65 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 26' ' ' LEU . 71.7 ttt180 -61.42 -32.33 72.28 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.016 0.927 . . . . 71.22 110.689 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.92 -34.24 77.35 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.698 -1.137 . . . . 73.23 111.38 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.703 ' HA ' HG21 ' A' ' 37' ' ' VAL . 6.2 tm-20 -67.78 -45.57 74.47 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.273 0.629 . . . . 63.35 110.334 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 23' ' ' ARG . 65.6 mt -56.1 -46.19 79.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.395 1.078 . . . . 64.21 112.29 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.4 ptp180 -72.65 -34.42 67.26 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.079 0.552 . . . . 72.14 111.782 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.11 67.87 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.538 0.735 . . . . 70.44 112.592 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.56 -25.13 67.84 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.571 0.748 . . . . 73.4 111.701 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -36.32 78.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.464 0.705 . . . . 73.01 111.8 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.14 -5.33 55.2 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.708 0.803 . . . . 63.53 112.251 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 62.24 59.49 1.6 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.877 1.271 . . . . 72.53 111.895 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 65' ' ' ILE . 51.2 mm -70.41 120.93 81.63 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-N 115.442 -0.799 . . . . 71.33 109.837 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.52 6.41 4.83 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.052 2.501 . . . . 75.34 114.64 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -108.89 157.96 35.45 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 123.447 0.699 . . . . 62.22 111.629 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.76 128.51 22.29 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 121.825 1.683 . . . . 52.14 109.34 159.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 25' ' ' GLU . 58.7 t -70.42 -28.85 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 112.288 0.477 . . . . 71.21 112.288 -172.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -36.06 82.79 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.968 -0.382 . . . . 63.13 109.968 171.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -64.72 -37.53 87.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.744 0.818 . . . . 73.53 111.5 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.44 -48.51 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 123.42 0.688 . . . . 63.43 111.052 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.16 -26.13 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 C-N-CA 123.957 0.903 . . . . 72.1 111.464 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -83.31 -38.1 22.56 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.51 0.724 . . . . 64.31 111.97 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.59 120.45 75.56 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.997 0.919 . . . . 70.53 111.716 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.87 165.7 18.06 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 122.962 2.441 . . . . 61.45 112.167 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.43 -52.71 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 113.288 0.847 . . . . 74.21 113.288 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.2 t -60.64 -41.63 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.17 0.51 . . . . 72.24 111.955 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.71 -41.7 78.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.299 1.04 . . . . 73.23 112.052 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.069 -0.969 . . . . 74.32 111.434 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 6.3 m-80 -64.71 -35.86 82.43 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.819 0.848 . . . . 72.34 111.121 174.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.0 tp10 -59.48 -48.52 81.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.688 0.795 . . . . 72.15 110.881 172.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.97 -45.84 84.01 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.645 0.778 . . . . 71.41 112.454 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -74.07 -16.29 61.04 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.504 0.557 . . . . 70.11 112.504 -176.192 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -86.29 -23.5 26.29 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.241 0.616 . . . . 75.02 111.578 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 29.8 mtpp -78.32 -47.65 17.32 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.048 0.539 . . . . 75.41 111.054 173.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -87.43 145.09 26.43 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.674 0.789 . . . . 74.35 110.841 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.04 130.66 38.55 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.915 0.486 . . . . 73.52 110.856 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 92.5 m-85 -128.29 159.46 35.2 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.508 0.723 . . . . 74.03 111.595 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -78.61 154.02 30.63 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 115.417 -0.811 . . . . 55.04 109.318 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.48 -41.92 81.61 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.112 0.965 . . . . 63.34 111.32 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.51 77.84 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.859 0.864 . . . . 71.54 112.084 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.99 -54.46 46.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.198 0.599 . . . . 74.24 111.555 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.99 -41.74 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.996 0.918 . . . . 74.45 112.796 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.95 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.835 0.854 . . . . 63.31 112.838 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 27' ' ' ARG . 54.8 tp -71.92 -37.87 69.98 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.335 -0.393 . . . . 73.45 112.024 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 33' ' ' ILE . 68.8 mt -57.55 -40.49 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 C-N-CA 123.536 0.734 . . . . 74.42 111.901 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.61 -34.99 75.05 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.521 0.729 . . . . 74.4 111.877 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.21 -51.34 25.27 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 122.996 0.518 . . . . 64.31 111.134 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.34 -44.42 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.08 0.952 . . . . 62.33 112.559 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -50.63 71.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.518 0.727 . . . . 70.42 110.516 -176.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -70.36 -45.75 65.46 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.297 0.639 . . . . 72.41 112.251 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 122.788 0.435 . . . . 63.0 110.081 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.98 0.419 . . . . 74.45 110.342 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -74.88 173.73 10.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 52.11 111.55 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -51.99 -44.08 63.9 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.153 0.981 . . . . 74.51 112.229 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -68.55 -41.63 79.53 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 124.602 1.161 . . . . 73.41 112.551 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.11 -39.67 79.26 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.372 0.669 . . . . 64.41 111.912 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.33 -39.84 95.67 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.61 0.764 . . . . 75.23 111.703 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -71.69 -36.81 70.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.364 0.666 . . . . 75.11 112.343 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -48.71 72.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.944 0.498 . . . . 52.53 110.916 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.41 -28.09 69.75 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.687 -0.688 . . . . 74.13 111.396 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.53 92.74 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.029 0.532 . . . . 72.23 111.734 174.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.57 -5.18 59.1 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.199 0.6 . . . . 74.43 112.585 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 61.77 49.01 5.09 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.599 1.16 . . . . 73.43 110.97 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 49.7 mm -70.82 126.65 92.19 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.591 0.757 . . . . 72.13 109.337 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 25.7 Cg_exo -64.74 -10.27 24.21 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.12 2.546 . . . . 64.44 114.968 -174.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.16 151.85 43.96 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 123.494 0.718 . . . . 52.43 111.259 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.79 143.71 74.76 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 121.997 1.798 . . . . 51.11 109.968 159.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 68' ' ' ILE . 73.5 t -58.86 -32.81 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 113.09 0.774 . . . . 63.13 113.09 -173.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.52 -35.07 60.28 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 112.349 0.5 . . . . 74.41 112.349 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -55.8 -51.24 68.16 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.27 0.628 . . . . 74.2 111.923 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -62.65 -37.44 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 123.59 0.756 . . . . 72.55 110.6 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.03 -40.63 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.883 0.873 . . . . 64.05 111.956 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 12.9 m120 -76.72 -24.86 53.07 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.495 0.554 . . . . 63.33 112.495 -175.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 108.54 23.82 Favored Pre-proline 0 CA--C 1.566 1.565 0 C-N-CA 123.265 0.626 . . . . 71.32 111.636 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 6.4 Cg_exo -74.41 -172.0 1.07 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 123.009 2.472 . . . . 55.54 112.125 172.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -53.33 -56.56 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 113.285 0.846 . . . . 70.15 113.285 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.83 -52.87 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 121.109 0.48 . . . . 53.33 111.931 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 6.0 m-20 -67.87 -38.97 83.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.616 0.767 . . . . 72.13 112.987 -174.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.19 -43.17 64.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.107 0.563 . . . . 55.14 112.309 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -56.1 -27.09 52.39 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.927 0.714 . . . . 53.51 112.927 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.01 -48.74 75.36 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.594 0.758 . . . . 74.53 112.217 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.4 tpt -70.58 -43.45 69.39 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.301 0.64 . . . . 45.54 111.662 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.401 ' SD ' ' NH2' ' A' ' 66' ' ' ARG . 56.9 ttp -65.32 -31.73 73.01 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.635 0.774 . . . . 73.41 111.691 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 t -70.97 -41.41 71.06 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.582 0.753 . . . . 73.54 111.015 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -64.7 -49.23 71.71 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.406 -1.27 . . . . 65.22 111.673 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.48 130.5 19.44 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.284 0.634 . . . . 74.34 109.93 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.52 153.9 41.86 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.861 0.864 . . . . 71.44 112.994 -173.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -120.22 156.17 31.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.296 1.038 . . . . 71.43 108.392 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -69.66 156.72 38.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.33 0.252 . . . . 73.53 111.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.18 -33.87 71.44 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.565 0.746 . . . . 74.22 112.764 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.38 95.98 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.617 0.767 . . . . 61.14 111.82 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -69.39 -54.31 15.07 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.193 0.997 . . . . 74.21 111.136 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD22 HH12 ' A' ' 66' ' ' ARG . 82.4 mt -62.47 -27.74 69.34 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.825 0.85 . . . . 72.43 112.655 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.21 -59.52 4.55 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.765 0.826 . . . . 73.43 111.735 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.67 -45.11 85.99 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.716 0.806 . . . . 75.03 111.272 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.93 -35.76 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 123.817 0.847 . . . . 71.01 112.39 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.619 HH12 HD22 ' A' ' 62' ' ' LEU . 59.2 mmt-85 -64.34 -51.15 64.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 110.116 -0.328 . . . . 75.04 110.116 175.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 22.5 m-20 -59.42 -38.35 80.42 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.009 0.924 . . . . 64.53 112.409 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -61.62 -45.71 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.393 0.677 . . . . 72.31 111.13 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.92 -30.1 71.07 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.22 0.608 . . . . 74.31 112.079 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 22.9 mmt85 -65.11 -47.75 76.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.766 0.426 . . . . 73.13 110.235 173.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 11.3 mmm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-N 116.104 -0.498 . . . . 72.54 111.05 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.698 0.285 . . . . 74.12 110.445 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.68 58.55 0.03 OUTLIER Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.584 -0.607 . . . . 75.11 111.584 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 113.62 13.85 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.554 0.742 . . . . 64.4 112.606 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -153.87 137.5 16.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.908 0.483 . . . . 74.32 111.603 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -163.95 102.1 0.88 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.104 0.962 . . . . 70.33 110.155 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -89.87 -26.0 20.71 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.114 0.565 . . . . 72.43 112.107 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.94 131.3 42.02 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.016 0.526 . . . . 72.4 111.659 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -68.49 106.48 2.57 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.999 0.92 . . . . 72.14 110.43 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -128.14 17.43 6.63 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.228 0.611 . . . . 51.54 112.366 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -75.84 75.56 2.78 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 123.239 0.616 . . . . 74.34 111.356 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.2 mtt -95.93 102.19 13.95 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.571 0.748 . . . . 61.23 109.909 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -77.27 123.34 26.33 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.477 0.711 . . . . 70.14 111.658 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -135.58 81.29 1.88 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.836 0.854 . . . . 74.21 109.014 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.401 ' HA ' ' SG ' ' A' ' 81' ' ' CYS . 36.5 t -84.86 -54.26 4.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.141 0.576 . . . . 73.35 111.316 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -72.45 86.06 1.14 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.026 0.53 . . . . 52.12 110.64 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp85 -139.48 123.45 17.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.176 0.99 . . . . 75.33 110.884 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.94 106.49 6.5 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 106.986 -1.487 . . . . 50.41 106.986 167.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.83 90.14 1.42 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.926 -0.579 . . . . 61.25 112.349 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.83 -9.3 58.58 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 115.642 -0.708 . . . . 42.33 109.707 158.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -77.35 63.37 2.53 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 125.563 1.545 . . . . 73.24 110.371 172.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.64 85.5 5.7 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.239 0.615 . . . . 74.05 109.614 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -72.07 177.65 4.26 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.276 1.03 . . . . 50.3 112.481 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.73 -36.52 72.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.521 0.729 . . . . 74.14 111.564 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' ' 68' ' ' ILE . 5.2 m-20 -62.37 -28.66 69.92 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.958 0.903 . . . . 64.12 111.914 176.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.26 -44.35 65.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.626 0.77 . . . . 73.01 110.051 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.86 -39.13 84.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.761 0.824 . . . . 75.0 111.416 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -71.68 -31.8 67.17 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.209 1.004 . . . . 75.54 111.647 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.74 87.94 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.43 111.025 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 88' ' ' ASN . 81.2 mttt -67.57 -38.34 83.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.546 0.738 . . . . 74.3 111.923 172.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.48 92.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.306 0.643 . . . . 72.33 112.243 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.3 -8.46 50.83 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.425 0.69 . . . . 74.23 112.526 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 59.07 58.99 2.92 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.303 1.041 . . . . 74.31 111.738 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.0 mm -74.16 131.46 80.92 Favored Pre-proline 0 CA--C 1.563 1.447 0 C-N-CA 123.834 0.854 . . . . 64.44 110.657 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.01 -6.28 18.71 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 122.784 2.323 . . . . 72.24 114.279 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' H ' HG22 ' A' ' 33' ' ' ILE . 25.1 m-85 -125.44 150.6 68.21 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.752 0.821 . . . . 73.35 109.36 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.59 157.62 61.08 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 121.996 1.797 . . . . 45.02 113.099 174.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.03 -47.0 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 C-N-CA 125.642 1.577 . . . . 72.53 112.304 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' HD21 ' A' ' 42' ' ' ASN . 1.7 tt0 -57.76 -46.66 84.21 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.859 1.264 . . . . 73.31 112.666 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -69.8 -30.52 68.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 112.869 0.692 . . . . 65.42 112.869 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.81 -38.33 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.007 0.523 . . . . 53.14 110.767 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG21 ' O ' ' A' ' 72' ' ' GLY . 24.1 mt -77.3 -40.59 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.496 0.718 . . . . 73.43 111.141 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.401 HD21 ' HG2' ' A' ' 38' ' ' GLU . 86.9 m-20 -77.58 -22.19 51.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.425 0.898 . . . . 42.55 113.425 -172.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.96 111.74 44.61 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 122.908 0.483 . . . . 74.43 110.207 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.73 162.41 25.1 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.781 2.321 . . . . 50.42 111.944 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.14 -43.0 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.108 0.563 . . . . 73.41 112.205 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.49 -52.03 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 123.553 0.741 . . . . 64.52 112.043 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 -37.02 74.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.049 0.94 . . . . 73.03 111.806 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -67.41 -31.36 71.52 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.475 1.11 . . . . 75.3 111.132 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' MET . 0.9 OUTLIER -56.61 -29.35 62.04 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 112.796 0.665 . . . . 72.0 112.796 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.07 -39.24 92.95 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.965 0.412 . . . . 71.21 110.974 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 1.2 mpt? -66.46 -42.02 88.19 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.695 0.798 . . . . 62.14 111.941 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 49' ' ' ASN . 22.0 ptp -75.2 -17.51 60.35 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 112.112 0.412 . . . . 74.02 112.112 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -68.43 -26.4 65.5 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.956 0.503 . . . . 63.42 111.053 171.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.6 -53.18 4.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.284 0.564 . . . . 73.33 110.782 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -118.47 122.89 43.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.213 1.005 . . . . 44.11 110.706 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.08 144.41 52.14 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.577 0.351 . . . . 73.15 110.732 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.23 130.55 56.65 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.186 0.594 . . . . 72.34 110.116 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.1 165.6 23.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.648 0.779 . . . . 72.23 111.876 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.8 -38.45 67.32 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.856 0.862 . . . . 70.41 113.246 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.5 69.36 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.68 0.792 . . . . 64.24 111.543 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.64 -46.52 89.43 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.474 0.71 . . . . 70.21 111.485 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.25 -37.25 82.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.759 0.823 . . . . 64.54 112.354 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.199 0.6 . . . . 73.11 111.904 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.05 -48.73 56.69 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.087 0.555 . . . . 73.34 111.568 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.78 -34.0 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.922 0.889 . . . . 63.25 111.202 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -65.5 -48.18 73.45 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.018 0.927 . . . . 60.01 111.029 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -74.09 -47.64 35.05 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.869 0.868 . . . . 71.53 112.477 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG12 ' HB3' ' A' ' 24' ' ' ASP . 51.9 mt -53.15 -48.48 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 124.385 1.074 . . . . 63.43 112.518 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -62.24 -29.71 70.59 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.868 0.867 . . . . 74.53 112.386 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -79.36 -24.91 42.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.473 0.709 . . . . 71.42 112.242 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -83.38 -61.51 1.83 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.941 0.496 . . . . 73.21 111.202 -175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.502 ' O ' HG21 ' A' ' 41' ' ' ILE . . . -99.61 50.34 1.15 Allowed Glycine 0 C--N 1.348 1.211 0 CA-C-N 116.106 -0.497 . . . . 45.44 113.268 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -51.25 -20.97 1.83 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 115.774 1.768 . . . . 70.12 115.774 -171.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -58.12 147.81 28.67 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.964 0.906 . . . . 62.15 112.521 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 75.01 1.59 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.835 -0.54 . . . . 70.32 110.892 -176.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 m -93.46 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 CA-C-O 121.934 0.874 . . . . 74.22 111.16 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.69 107.78 2.25 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.33 -0.85 . . . . 52.43 113.007 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 117.74 9.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.118 0.567 . . . . 74.32 110.795 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -87.3 -173.8 4.56 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.42 0.688 . . . . 61.33 111.963 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -58.65 104.25 0.21 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.194 0.998 . . . . 74.22 112.906 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 14' ' ' SER . 39.0 m -135.63 62.29 1.63 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.325 0.65 . . . . 54.41 111.613 -174.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 61.84 7.68 2.11 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.942 1.297 . . . . 62.03 114.362 171.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mptt 61.22 172.42 0.11 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 123.753 0.821 . . . . 74.1 111.805 -163.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -157.43 143.95 17.98 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.18 0.592 . . . . 75.35 110.663 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -73.5 86.97 1.58 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.638 0.732 . . . . 72.32 109.889 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.1 tp -71.53 132.27 44.46 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.935 -1.03 . . . . 72.54 110.819 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.39 91.86 0.77 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.544 -0.91 . . . . 72.44 108.544 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.527 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.0 t-20 -156.59 154.82 30.81 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.715 0.806 . . . . 73.32 109.907 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.7 tt -93.12 -34.54 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.712 0.405 . . . . 53.13 112.016 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.579 2.059 0 C-N-CA 125.167 1.387 . . . . 73.12 112.075 -173.614 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tmm? . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.337 -0.616 . . . . 75.4 109.337 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.22 33.39 4.31 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 114.912 0.725 . . . . 72.31 114.912 -172.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 66.32 166.64 0.21 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 125.421 1.488 . . . . 74.53 113.373 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -135.16 -65.52 0.61 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.649 0.78 . . . . 72.54 111.234 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -163.11 149.37 12.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 112.469 0.544 . . . . 70.44 112.469 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -149.84 101.4 3.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.924 0.89 . . . . 74.01 109.888 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -159.37 2.45 0.09 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.242 0.617 . . . . 65.42 112.403 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.4 98.16 0.33 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.546 0.739 . . . . 74.11 110.467 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t -160.49 177.89 10.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.499 0.72 . . . . 71.01 111.19 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -132.73 112.11 11.71 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.902 0.881 . . . . 73.24 110.955 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.1 tpt -168.27 71.03 0.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 123.383 0.673 . . . . 70.14 111.59 176.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -135.64 105.05 6.01 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.772 0.829 . . . . 74.33 110.178 168.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -153.39 58.0 0.76 Allowed 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 121.929 0.871 . . . . 63.44 110.054 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 t -165.85 146.84 6.85 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.243 -0.89 . . . . 63.11 110.489 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -149.76 148.59 29.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.171 0.588 . . . . 75.34 110.697 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 59.42 73.39 0.48 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.314 1.046 . . . . 72.21 111.882 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 141.56 28.72 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.526 -0.761 . . . . 74.34 110.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HB3' ' H ' ' A' ' 85' ' ' LYS . 42.5 tt0 62.25 87.65 0.1 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.676 1.19 . . . . 64.21 110.665 -170.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.73 12.08 0.78 Allowed 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 115.383 -0.826 . . . . 65.41 111.735 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -117.79 97.08 5.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.713 0.805 . . . . 74.22 110.732 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.8 mt -82.36 87.62 6.59 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.905 0.482 . . . . 73.34 110.596 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -68.44 175.15 3.55 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.856 0.862 . . . . 71.12 111.83 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -55.47 -42.57 74.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.545 0.738 . . . . 62.1 112.148 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' HB2' HG11 ' A' ' 37' ' ' VAL . 4.9 m-20 -77.78 -28.79 50.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 74.21 112.369 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 9.9 mm-40 -60.1 -38.17 82.17 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.893 0.477 . . . . 63.1 110.498 172.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.26 -45.89 89.99 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.408 0.683 . . . . 35.32 110.835 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -66.82 -35.24 79.6 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.381 -0.827 . . . . 74.33 111.309 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -44.62 76.16 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.173 0.989 . . . . 41.4 112.271 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 24.4 mmtp -74.68 -24.53 58.8 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.658 0.383 . . . . 73.13 110.891 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.63 69.14 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.585 0.754 . . . . 73.51 111.434 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD12 HD22 ' A' ' 64' ' ' LEU . 96.7 mt -92.24 -9.46 42.11 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.733 . . . . 65.22 112.716 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 65.3 58.56 0.85 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 124.724 1.21 . . . . 75.4 112.338 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 35' ' ' PHE . 35.8 mm -75.22 126.51 87.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 123.012 0.525 . . . . 62.11 110.327 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.81 -4.1 13.37 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.314 2.676 . . . . 72.35 114.35 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.675 ' H ' HG22 ' A' ' 33' ' ' ILE . 39.5 m-85 -115.82 158.99 40.76 Favored Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.577 1.151 . . . . 72.12 110.733 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.568 ' HD3' ' HD2' ' A' ' 83' ' ' LYS . 79.7 Cg_endo -79.52 143.63 17.23 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 121.864 1.71 . . . . 75.31 111.3 162.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 24' ' ' ASP . 76.2 t -56.53 -36.03 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.728 0.811 . . . . 74.24 111.861 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -50.81 -51.59 49.39 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.867 0.867 . . . . 74.24 111.608 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.64 -43.74 83.81 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.769 0.655 . . . . 63.32 112.769 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 35' ' ' PHE . 49.7 mt -62.32 -29.19 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 118.794 0.725 . . . . 73.15 111.783 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -69.25 -46.25 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.729 0.412 . . . . 74.35 111.101 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -92.45 0.28 57.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.623 0.972 . . . . 53.23 113.623 -173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.3 122.71 68.33 Favored Pre-proline 0 N--CA 1.479 1.009 0 N-CA-C 108.953 -0.758 . . . . 71.44 108.953 171.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.71 132.85 54.58 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.392 2.061 . . . . 61.1 111.596 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG13 HH11 ' A' ' 69' ' ' ARG . 76.9 t -52.37 -31.32 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.841 0.856 . . . . 63.1 112.265 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.08 -52.54 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 122.945 0.498 . . . . 33.32 111.154 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.99 -38.64 89.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.843 0.857 . . . . 70.31 111.756 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.74 -37.32 65.12 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.223 -0.444 . . . . 73.32 111.607 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.42 HD21 ' NH1' ' A' ' 69' ' ' ARG . 12.5 m120 -74.56 -32.42 62.41 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 112.043 0.386 . . . . 63.12 112.043 175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.4 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.294 0.637 . . . . 73.13 110.49 173.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.9 ttm -69.52 -54.85 12.16 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.085 -0.961 . . . . 71.41 110.446 173.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.12 -28.72 68.1 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 125.264 1.426 . . . . 61.03 113.604 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -59.25 -29.78 67.8 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.2 0.6 . . . . 50.41 112.547 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.39 -47.19 4.18 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.559 0.743 . . . . 73.02 110.798 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.07 83.59 2.93 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.426 0.69 . . . . 60.11 110.089 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.34 160.72 30.67 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.352 -0.84 . . . . 75.45 113.061 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -135.51 168.07 19.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.946 0.898 . . . . 71.43 110.473 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.74 157.43 37.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.256 0.622 . . . . 53.1 110.718 171.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.04 -40.99 74.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.57 0.748 . . . . 53.33 112.732 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.81 -37.24 79.09 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.767 0.827 . . . . 64.44 112.001 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.51 -42.65 95.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.378 0.671 . . . . 75.33 111.436 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 99.4 mt -64.38 -38.13 89.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.538 0.735 . . . . 54.25 112.046 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.48 83.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.063 0.545 . . . . 74.14 111.772 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -69.6 -43.18 73.32 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.299 0.639 . . . . 51.14 111.774 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.73 -34.16 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 123.632 0.773 . . . . 71.21 111.966 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 86.1 mtt180 -61.83 -40.24 94.62 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.216 0.606 . . . . 75.34 111.422 174.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.2 -45.78 58.92 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.561 0.744 . . . . 70.04 111.19 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -47.42 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 C-N-CA 123.679 0.792 . . . . 75.43 111.911 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.467 HH11 HG13 ' A' ' 45' ' ' VAL . 68.8 mtm180 -65.42 -29.16 69.81 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.803 0.441 . . . . 72.41 111.757 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -68.51 -24.68 64.69 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.083 0.553 . . . . 72.24 111.296 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -77.95 -10.69 59.71 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.297 0.639 . . . . 63.03 111.548 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.94 76.88 0.55 Allowed Glycine 0 C--N 1.351 1.377 0 C-N-CA 123.202 0.429 . . . . 62.35 113.4 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -95.81 -26.26 15.72 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.654 0.782 . . . . 64.04 110.0 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -85.44 77.67 9.87 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.872 0.869 . . . . 63.35 111.549 -173.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -91.59 23.86 3.32 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.513 0.725 . . . . 54.14 110.896 170.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.87 -51.64 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.477 1.111 . . . . 74.15 110.253 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.79 121.75 8.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.152 0.981 . . . . 43.41 110.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.55 86.17 2.64 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.975 0.51 . . . . 71.42 111.084 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -77.73 87.07 3.99 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.768 0.794 . . . . 74.33 111.089 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -102.3 85.45 2.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.516 0.674 . . . . 65.32 110.189 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.88 121.9 20.76 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.279 -0.873 . . . . 62.2 110.855 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -64.72 113.07 3.52 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.102 0.561 . . . . 74.11 110.704 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.34 144.54 53.8 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.682 0.793 . . . . 70.1 113.103 -170.344 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -143.56 -35.41 0.38 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.415 0.686 . . . . 74.23 111.272 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.473 ' H ' ' HB3' ' A' ' 18' ' ' GLU . 12.6 tmtt? 74.55 129.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.079 1.352 . . . . 70.2 112.036 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.09 141.49 58.75 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.242 1.017 . . . . 70.55 113.696 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.9 -16.9 57.87 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.323 1.049 . . . . 72.43 112.792 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -58.37 108.69 0.65 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.723 0.809 . . . . 35.5 112.921 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.1 mt 74.93 -56.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.543 1.537 . . . . 63.53 113.042 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 CA--C 1.564 1.503 0 C-N-CA 123.701 0.8 . . . . 65.44 111.374 178.44 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.568 -0.16 . . . . 65.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.28 0.94 4.42 Favored Glycine 0 N--CA 1.476 1.365 0 CA-C-O 119.871 -0.405 . . . . 72.21 113.932 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -78.5 86.24 4.54 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.507 0.67 . . . . 64.14 110.984 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -106.22 121.11 43.53 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.741 0.816 . . . . 63.0 109.888 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -72.99 113.49 10.08 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.12 0.486 . . . . 74.42 110.841 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -151.9 -69.02 0.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.088 0.955 . . . . 74.11 110.668 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 57.41 -82.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.636 1.174 . . . . 61.41 111.204 -169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -161.01 166.7 27.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.653 0.781 . . . . 75.3 111.46 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -136.06 155.96 49.44 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.627 0.771 . . . . 71.41 110.289 173.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.66 52.66 2.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.894 0.855 . . . . 73.44 109.789 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.1 ttp -76.5 81.76 3.2 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.838 -1.074 . . . . 63.55 110.049 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -155.37 81.21 1.05 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.87 -1.059 . . . . 73.22 108.818 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -125.72 79.26 1.81 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.821 -0.807 . . . . 75.33 108.821 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t 52.73 75.7 0.23 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.056 0.942 . . . . 74.25 110.39 -169.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 m -70.35 78.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.608 0.763 . . . . 74.43 112.156 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -123.46 -13.16 7.65 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.165 0.986 . . . . 64.51 111.393 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -147.74 154.6 40.74 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.465 0.543 . . . . 64.44 112.465 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 49.03 57.78 6.08 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.755 1.622 . . . . 61.45 114.109 169.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 13.38 6.33 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.681 0.792 . . . . 74.25 112.635 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 59.3 75.62 0.39 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.449 1.1 . . . . 71.12 111.084 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -78.68 91.24 4.63 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 114.831 -1.077 . . . . 75.44 111.693 -172.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 p -71.78 173.67 7.9 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.733 -0.667 . . . . 74.14 110.58 170.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -59.66 -36.22 75.98 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.146 0.974 . . . . 70.44 109.657 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.52 -41.21 63.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 113.463 -1.699 . . . . 73.51 111.1 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.96 -38.91 87.58 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.65 0.78 . . . . 72.34 111.636 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.03 -50.23 67.07 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.482 0.713 . . . . 74.52 111.898 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -69.75 -30.79 68.47 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.879 0.472 . . . . 75.01 111.702 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -54.06 29.62 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.259 0.624 . . . . 73.44 111.046 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.12 -23.2 64.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.429 0.692 . . . . 54.12 111.76 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.59 85.08 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.301 0.64 . . . . 40.32 111.566 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 64' ' ' LEU . 32.5 mt -83.74 4.21 29.87 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.521 0.728 . . . . 75.34 112.121 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 59.52 49.01 9.02 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.912 1.285 . . . . 73.11 112.148 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.2 119.96 71.26 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 108.527 -0.916 . . . . 75.52 108.527 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.16 -3.81 13.64 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.5 2.133 . . . . 72.53 113.928 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.512 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 23.1 m-85 -123.29 156.84 62.9 Favored Pre-proline 0 CA--C 1.56 1.331 0 C-N-CA 124.12 0.968 . . . . 72.1 110.395 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 158.19 55.31 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 121.844 1.696 . . . . 71.32 112.673 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.72 -44.37 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 124.56 1.144 . . . . 45.23 112.719 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.01 -34.01 69.56 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.362 0.665 . . . . 73.22 112.224 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 62.7 tttp -71.73 -39.98 69.74 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.932 0.493 . . . . 71.42 112.057 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -42.95 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 121.129 0.49 . . . . 64.53 110.138 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.2 -37.6 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.993 0.917 . . . . 75.13 111.088 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -76.85 -31.59 56.95 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.673 0.789 . . . . 71.12 112.138 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -77.78 113.22 30.57 Favored Pre-proline 0 N--CA 1.483 1.2 0 C-N-CA 123.703 0.801 . . . . 72.35 111.732 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.98 163.21 34.71 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.631 2.221 . . . . 63.42 111.834 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.02 -40.14 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.943 0.497 . . . . 71.42 112.267 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.68 -51.11 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 C-N-CA 123.027 0.531 . . . . 63.14 111.517 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.11 -35.15 76.26 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.891 0.876 . . . . 71.05 111.619 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 28.0 t80 -74.73 -32.75 62.21 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.667 -0.697 . . . . 61.4 111.793 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -46.12 89.83 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.879 0.472 . . . . 64.13 110.076 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.61 -46.63 89.02 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.081 0.952 . . . . 72.14 111.237 172.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -60.98 -39.23 88.81 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.54 0.736 . . . . 73.41 111.953 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 47.2 ttp -76.61 -30.52 56.96 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.526 1.131 . . . . 71.32 111.807 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 m -64.03 -34.0 77.03 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.032 0.533 . . . . 73.42 111.612 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -87.87 -52.57 5.21 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.296 0.638 . . . . 63.24 109.782 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.73 111.94 23.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 72.13 111.013 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -81.1 114.4 19.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.205 0.602 . . . . 74.42 110.725 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -101.1 170.14 8.47 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.297 0.639 . . . . 75.41 111.212 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -85.09 158.85 20.31 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.039 0.536 . . . . 73.42 110.494 172.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.48 -34.73 78.96 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.779 0.432 . . . . 70.43 111.88 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.35 71.21 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.305 0.642 . . . . 70.24 111.538 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.9 -54.14 35.44 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.963 0.505 . . . . 72.11 110.678 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.51 -33.15 67.75 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.972 0.909 . . . . 75.12 112.359 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -57.46 -58.7 7.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.507 0.723 . . . . 74.1 111.184 174.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD22 HD12 ' A' ' 31' ' ' LEU . 45.9 tp -66.29 -39.2 89.2 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.924 -177.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.464 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 69.3 mt -54.71 -46.61 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.795 0.838 . . . . 54.23 111.664 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.546 HH21 ' HA ' ' A' ' 63' ' ' ALA . 84.9 mtm180 -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.478 -0.328 . . . . 74.24 111.534 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -62.16 -44.57 96.32 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.291 0.636 . . . . 73.24 111.936 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.66 -41.84 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.238 1.015 . . . . 60.41 111.279 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -73.67 -31.05 63.27 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 112.398 0.518 . . . . 73.22 112.398 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 45.4 mtm105 -64.22 -45.25 89.06 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.098 0.475 . . . . 43.44 110.266 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -65.67 -31.54 72.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.498 1.119 . . . . 55.14 111.64 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.4 -54.38 38.16 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.648 -0.705 . . . . 73.12 114.084 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -137.63 -81.95 0.34 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.989 0.516 . . . . 74.42 109.818 172.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -175.81 133.18 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.46 1.104 . . . . 70.12 109.389 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -106.26 110.31 22.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.71 0.404 . . . . 63.2 110.461 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.56 -56.52 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 123.566 0.746 . . . . 53.13 110.642 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.58 172.51 12.7 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.755 0.822 . . . . 75.41 111.521 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.65 152.49 18.95 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.772 0.829 . . . . 61.24 111.615 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.95 133.66 43.49 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.686 0.795 . . . . 71.51 109.949 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -119.94 25.99 9.58 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.227 0.611 . . . . 71.33 110.84 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.2 t -62.76 129.49 40.74 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.698 0.799 . . . . 62.42 112.808 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -163.83 159.77 21.53 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.379 1.071 . . . . 71.23 110.074 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -95.43 169.34 10.13 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.607 0.595 . . . . 74.32 112.607 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.61 86.54 0.47 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 107.902 -1.148 . . . . 74.42 107.902 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -141.67 -11.68 0.9 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.137 0.575 . . . . 74.04 112.127 -169.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.5 76.48 6.11 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 121.696 0.76 . . . . 54.21 111.797 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.37 162.79 30.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.411 1.084 . . . . 73.12 109.936 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -127.77 147.2 50.41 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.195 0.521 . . . . 73.42 111.347 -173.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.2 tp -124.19 144.28 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 124.496 1.118 . . . . 72.03 108.939 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.576 1.947 0 C-N-CA 124.779 1.232 . . . . 64.21 111.248 -174.848 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.498 1.954 0 N-CA-C 112.147 0.425 . . . . 71.21 112.147 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.03 103.85 1.07 Allowed Glycine 0 C--N 1.353 1.497 0 N-CA-C 114.709 0.644 . . . . 73.03 114.709 -173.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -126.61 105.44 8.72 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.132 0.973 . . . . 72.43 109.889 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -148.19 101.44 3.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.21 0.604 . . . . 64.43 110.341 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -77.09 159.56 29.72 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.079 0.552 . . . . 61.24 111.757 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -127.6 140.4 52.13 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.817 0.847 . . . . 71.33 110.239 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -77.01 119.98 21.48 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.403 0.681 . . . . 60.3 111.922 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -100.43 139.8 35.59 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.88 0.872 . . . . 72.23 110.149 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -168.29 67.47 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 72.22 111.341 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -80.12 80.79 6.5 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 109.365 -0.606 . . . . 64.31 109.365 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.2 ttm -93.05 -39.06 11.3 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.398 0.679 . . . . 44.11 111.232 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -59.81 117.61 5.21 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.686 0.795 . . . . 73.11 111.669 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -77.02 133.08 39.22 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.279 0.632 . . . . 71.13 111.579 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.9 m -97.26 95.15 7.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.2 0.6 . . . . 65.31 110.154 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.5 p -154.27 122.07 5.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.485 0.714 . . . . 72.21 110.219 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -70.13 130.83 43.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.957 0.503 . . . . 72.42 111.125 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.4 158.77 43.93 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.521 0.728 . . . . 73.14 109.687 170.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.88 126.84 31.51 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 108.946 -0.761 . . . . 70.24 108.946 170.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 80' ' ' ASN . . . -69.75 148.51 49.09 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.526 0.33 . . . . 74.05 111.56 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -67.95 90.97 0.32 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.721 0.808 . . . . 73.12 112.946 -164.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.77 92.59 2.51 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.574 -0.739 . . . . 74.14 110.981 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -81.22 175.91 10.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.089 0.956 . . . . 63.23 111.061 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -49.92 -51.38 41.37 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.901 0.88 . . . . 71.23 112.291 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -61.75 -44.27 97.22 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.881 1.272 . . . . 72.11 112.636 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.45 -34.69 74.37 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.304 0.641 . . . . 71.33 112.215 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.58 -33.1 66.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.486 0.715 . . . . 73.12 111.629 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -71.1 -35.58 71.88 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.417 0.687 . . . . 73.01 110.837 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.78 95.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.802 0.841 . . . . 73.34 110.983 174.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.77 -40.34 79.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.583 0.753 . . . . 71.24 111.481 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.16 94.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.765 0.826 . . . . 74.02 112.677 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.64 -5.09 52.22 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.362 0.665 . . . . 74.24 112.245 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.5 m80 61.84 58.76 1.87 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.245 1.018 . . . . 75.13 112.046 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 35' ' ' PHE . 28.8 mm -70.48 130.8 88.72 Favored Pre-proline 0 CA--C 1.561 1.402 0 CA-C-N 115.371 -0.831 . . . . 75.42 109.774 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -55.98 -23.8 45.18 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.096 2.531 . . . . 72.22 114.451 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.684 ' H ' HG22 ' A' ' 33' ' ' ILE . 37.5 m-85 -113.69 161.35 28.02 Favored Pre-proline 0 CA--C 1.563 1.448 0 C-N-CA 123.967 0.907 . . . . 74.22 112.259 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.86 165.25 31.71 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.831 2.354 . . . . 72.52 111.975 162.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.65 -42.32 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 122.814 0.446 . . . . 71.01 111.778 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.64 -35.66 31.63 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.994 0.918 . . . . 75.32 112.058 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HE3' HD11 ' A' ' 43' ' ' LEU . 59.0 tptt -62.29 -51.95 65.66 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.862 0.865 . . . . 74.04 111.409 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -36.7 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 123.109 0.563 . . . . 73.44 110.996 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.571 HD13 ' H ' ' A' ' 74' ' ' ASN . 80.3 mt -62.5 -44.55 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.311 0.645 . . . . 63.44 111.458 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.19 -41.41 49.63 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.134 0.574 . . . . 53.4 112.003 -173.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.589 HD11 ' HE3' ' A' ' 39' ' ' LYS . 90.7 mt -64.98 112.71 8.74 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 123.442 0.697 . . . . 63.45 111.778 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.1 151.49 81.54 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.367 2.045 . . . . 63.55 111.304 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -39.1 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 123.719 0.808 . . . . 71.1 112.767 -170.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -59.61 -53.34 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.11 0.564 . . . . 70.04 112.268 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.96 -35.98 77.38 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.39 0.676 . . . . 71.5 111.876 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -68.98 -35.55 76.84 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.035 -0.53 . . . . 74.35 111.23 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -38.29 82.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.094 0.557 . . . . 75.21 111.671 175.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.4 -41.97 75.7 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.79 0.436 . . . . 62.3 111.248 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.9 ttm -59.38 -42.88 92.72 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.555 0.742 . . . . 73.1 111.354 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.8 ttp -72.94 -29.72 63.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.986 1.315 . . . . 72.41 111.792 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.3 t -69.88 -37.78 76.14 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.519 0.727 . . . . 71.52 111.453 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -77.43 -52.94 8.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.706 0.765 . . . . 75.33 110.049 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -105.9 80.19 1.5 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.582 -1.19 . . . . 64.24 109.258 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.5 104.31 2.29 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.745 -0.662 . . . . 52.2 110.965 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.69 166.08 23.93 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.522 0.729 . . . . 74.51 111.041 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.81 152.52 45.2 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.045 0.538 . . . . 74.54 109.98 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.01 -30.04 70.06 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.062 0.764 . . . . 65.54 113.062 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.31 67.17 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.443 0.697 . . . . 71.03 111.377 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.32 -44.2 97.06 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.488 0.715 . . . . 73.33 111.3 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.11 -35.49 80.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.153 0.981 . . . . 63.02 111.53 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.4 80.07 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.363 0.665 . . . . 70.45 112.12 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -67.57 -41.4 84.21 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.985 0.514 . . . . 74.2 110.765 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.53 -38.56 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 C-N-CA 123.627 0.771 . . . . 73.12 111.53 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.68 -51.09 68.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.116 0.484 . . . . 74.21 110.072 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.5 -50.74 70.9 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 114.597 -1.183 . . . . 71.22 111.625 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.5 -39.53 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 C-N-CA 123.933 0.893 . . . . 70.24 112.049 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -71.95 -48.33 46.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.463 0.705 . . . . 75.33 112.12 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.07 -29.07 69.93 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.522 0.729 . . . . 74.41 111.753 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -81.16 -46.2 15.24 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.338 0.655 . . . . 71.43 111.724 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.13 56.28 23.13 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.623 -0.591 . . . . 74.32 111.623 -169.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.2 -44.22 92.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.434 1.094 . . . . 73.22 113.157 -164.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.571 ' H ' HD13 ' A' ' 41' ' ' ILE . 8.6 t30 61.55 -75.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.288 1.435 . . . . 51.1 113.85 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.35 83.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.892 0.877 . . . . 62.23 112.855 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.36 -28.31 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 C-N-CA 123.656 0.783 . . . . 74.22 109.521 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 70.37 149.97 0.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.591 1.556 . . . . 74.54 113.387 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.16 -174.91 0.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.472 1.109 . . . . 52.12 112.143 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -104.48 108.52 19.98 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 121.74 -0.6 . . . . 63.41 110.485 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.658 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 45.1 m-20 -82.33 91.21 6.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.233 0.539 . . . . 54.02 110.887 175.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -73.33 143.57 46.87 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.245 -0.889 . . . . 34.32 110.639 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 134.65 45.41 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.147 0.499 . . . . 71.01 112.152 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -136.45 -179.82 5.91 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.284 0.634 . . . . 60.14 111.358 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -101.75 -176.52 3.16 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.585 0.754 . . . . 72.11 110.639 172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.85 91.42 0.64 Allowed 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.951 -0.568 . . . . 74.53 109.924 168.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.18 108.98 1.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.786 0.834 . . . . 74.31 110.508 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.7 144.46 57.01 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.275 0.63 . . . . 65.42 111.527 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -76.94 83.19 3.48 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.812 -0.631 . . . . 71.3 110.714 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.5 tt -72.03 156.72 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 123.709 0.804 . . . . 72.12 110.026 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.517 0.727 . . . . 74.13 112.691 175.445 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.637 -0.505 . . . . 62.53 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.12 143.91 10.43 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-O 120.098 -0.279 . . . . 73.03 113.132 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 m80 64.18 20.43 12.18 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 124.879 1.272 . . . . 63.15 113.263 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -75.26 118.65 18.4 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.959 0.409 . . . . 75.31 111.596 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -73.93 108.01 6.5 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.908 -0.587 . . . . 74.02 110.298 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -52.98 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.676 1.19 . . . . 72.24 112.484 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -106.84 26.35 10.16 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.681 0.792 . . . . 74.43 111.237 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -128.92 21.39 5.86 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.05 0.94 . . . . 72.22 110.442 171.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 m -84.14 126.69 33.35 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.932 0.893 . . . . 62.24 111.658 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -106.53 148.96 27.62 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.629 0.772 . . . . 72.42 111.04 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.4 pmm? -125.62 3.74 7.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.189 0.995 . . . . 54.23 111.152 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -79.68 125.68 29.95 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.729 0.812 . . . . 54.14 112.246 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -172.42 128.43 0.55 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.23 1.012 . . . . 73.44 110.852 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.8 m -104.98 113.08 26.46 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.733 0.813 . . . . 65.52 110.794 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.0 p -79.34 126.08 30.34 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.817 0.847 . . . . 74.02 111.713 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -100.14 150.74 22.18 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.342 0.657 . . . . 64.13 111.015 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.62 119.85 18.42 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.431 -0.581 . . . . 73.14 109.431 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.74 89.94 1.38 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.621 0.769 . . . . 75.23 111.352 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.2 11.01 21.82 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.558 0.743 . . . . 54.33 112.09 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.79 90.24 3.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.141 0.576 . . . . 74.42 110.307 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.3 90.14 3.21 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.312 0.645 . . . . 72.44 110.368 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.3 p -82.77 177.92 8.43 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.551 0.74 . . . . 74.52 110.663 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -54.87 -42.37 71.95 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.427 0.691 . . . . 72.12 112.114 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.2 m-20 -76.25 -34.44 59.17 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.043 0.537 . . . . 63.42 112.296 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -60.47 -28.26 68.19 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.291 0.567 . . . . 71.41 111.101 176.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' THR . 79.1 mt -67.56 -43.79 79.78 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.608 -0.724 . . . . 61.24 111.66 172.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.7 ptp180 -66.77 -34.8 78.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 122.245 0.218 . . . . 75.13 110.801 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.33 98.2 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.3 0.64 . . . . 70.14 111.676 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.82 -36.01 79.9 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.714 0.806 . . . . 62.14 111.866 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.74 77.14 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.014 0.926 . . . . 64.44 113.235 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 64' ' ' LEU . 80.0 mt -108.73 9.26 27.03 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.34 0.656 . . . . 74.3 112.272 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.7 t60 57.61 59.03 3.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.444 1.098 . . . . 72.33 112.452 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 35' ' ' PHE . 41.1 mm -69.84 128.1 92.07 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 109.212 -0.662 . . . . 75.44 109.212 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.23 -1.26 6.87 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.67 2.247 . . . . 73.44 114.086 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.597 ' H ' HG22 ' A' ' 33' ' ' ILE . 21.7 m-85 -128.03 155.7 77.4 Favored Pre-proline 0 CA--C 1.56 1.355 0 C-N-CA 124.307 1.043 . . . . 70.05 110.239 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.97 158.16 46.34 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.154 1.902 . . . . 64.11 112.429 165.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 68' ' ' ILE . 47.8 t -58.44 -40.73 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 C-N-CA 123.999 0.919 . . . . 63.42 112.001 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -51.18 -36.15 39.75 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.889 0.876 . . . . 74.22 111.966 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD3' ' HB3' ' A' ' 35' ' ' PHE . 87.8 tttt -78.57 -38.3 40.57 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.849 0.685 . . . . 63.14 112.849 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.58 -34.45 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 CA-C-N 118.962 0.801 . . . . 72.43 110.159 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -75.24 -30.86 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.552 0.741 . . . . 73.34 111.551 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -79.03 -22.43 45.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.898 0.479 . . . . 75.14 111.185 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.04 115.07 65.33 Favored Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 123.927 0.891 . . . . 64.0 109.989 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HG3' ' H ' ' A' ' 76' ' ' VAL . 13.7 Cg_exo -67.51 168.34 18.37 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.53 2.153 . . . . 55.13 112.257 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.443 HG22 ' HD2' ' A' ' 69' ' ' ARG . 58.5 t -60.84 -39.33 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 122.637 0.375 . . . . 51.14 111.441 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.7 -51.41 73.13 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.39 0 CA-C-O 121.239 0.543 . . . . 73.53 111.677 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 4.9 m-20 -76.21 -34.14 59.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.909 0.883 . . . . 71.34 112.272 -174.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -74.82 -38.17 62.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.359 0.664 . . . . 65.35 111.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.83 -28.32 67.46 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.649 0.38 . . . . 64.11 111.032 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -46.93 80.53 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.361 0.664 . . . . 73.51 109.475 171.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 tpt -58.58 -38.67 78.42 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.735 0.814 . . . . 53.02 111.594 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.0 ttt -72.02 -33.75 68.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.351 0.661 . . . . 71.01 111.815 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -59.79 -40.09 87.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.027 0.531 . . . . 73.04 110.757 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -72.99 -55.68 6.2 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.09 -0.504 . . . . 74.14 111.18 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -123.9 97.0 5.16 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.77 0.828 . . . . 75.42 110.722 -173.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.638 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -73.48 136.63 44.19 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.771 0.828 . . . . 72.2 110.506 -179.375 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -89.56 172.06 9.24 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.247 0.619 . . . . 72.22 110.399 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -70.02 156.96 38.39 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.973 0.509 . . . . 71.0 110.392 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.79 -40.52 76.07 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.466 0.706 . . . . 72.44 112.787 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.52 -36.42 68.32 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.67 0.788 . . . . 24.23 111.351 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.91 -46.54 84.35 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.063 0.545 . . . . 72.01 111.249 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.94 -41.46 96.31 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.861 0.865 . . . . 64.32 111.632 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -46.39 89.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.688 0.795 . . . . 41.42 111.246 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 31' ' ' LEU . 39.4 tp -63.5 -41.34 98.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.273 -0.876 . . . . 74.21 112.458 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -32.39 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 124.062 0.945 . . . . 32.43 111.738 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -67.14 -42.06 85.02 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.196 0.599 . . . . 71.22 110.927 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -68.21 -29.75 68.66 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.356 1.062 . . . . 73.44 111.479 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 37' ' ' VAL . 42.8 mt -74.66 -39.82 46.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.33 0 C-N-CA 124.017 0.927 . . . . 65.34 111.051 174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HD2' HG22 ' A' ' 45' ' ' VAL . 58.6 ttp180 -73.06 -36.73 66.94 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.887 0.875 . . . . 72.11 112.698 -174.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -23.69 67.47 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 122.819 0.448 . . . . 65.51 112.077 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.36 -35.66 79.83 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.963 0.905 . . . . 74.02 109.93 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 163.1 16.26 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 114.296 0.479 . . . . 65.11 114.296 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -139.52 14.49 2.55 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.961 0.904 . . . . 74.44 111.397 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.99 138.99 31.49 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.649 0.78 . . . . 71.13 111.444 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 117.18 19.27 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.485 0.714 . . . . 74.21 110.916 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.603 ' H ' ' HG3' ' A' ' 44' ' ' PRO . 92.4 t -75.33 -21.92 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.696 0.798 . . . . 75.11 110.654 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.92 82.38 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.903 0.881 . . . . 72.24 112.275 -176.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.42 6.48 4.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.689 1.196 . . . . 64.42 109.804 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -107.23 -177.87 3.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.719 1.208 . . . . 74.44 110.222 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.49 82.53 7.88 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.567 -0.901 . . . . 70.25 108.567 173.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.96 -18.66 62.61 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 114.261 1.208 . . . . 63.21 114.261 -169.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -71.75 -13.19 61.64 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 112.302 0.482 . . . . 75.43 112.302 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -66.75 117.54 9.03 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.421 -0.585 . . . . 72.54 109.421 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -64.69 97.84 0.23 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.384 0.673 . . . . 61.15 112.06 -172.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -121.53 167.81 12.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.601 1.16 . . . . 71.23 110.113 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.7 pp -141.46 132.0 25.4 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.239 0.616 . . . . 72.04 109.84 172.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -155.63 149.9 25.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 64.11 111.04 -173.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.55 -37.5 0.36 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.779 1.632 . . . . 35.33 112.922 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.502 HD11 ' HB2' ' A' ' 86' ' ' LEU . 34.6 pt -68.5 -1.77 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.706 1.202 . . . . 62.52 112.972 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 CA--C 1.576 1.975 0 C-N-CA 124.768 1.227 . . . . 72.03 113.001 171.021 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 120.699 0.285 . . . . 72.2 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.64 52.84 0.03 OUTLIER Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.198 -0.455 . . . . 52.51 112.703 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -78.55 81.17 4.89 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.103 0.954 . . . . 74.51 112.12 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -72.69 120.56 18.47 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.24 -0.891 . . . . 74.4 111.507 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -128.39 91.59 3.27 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.868 0.867 . . . . 70.51 109.855 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -147.74 108.03 4.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.922 0.889 . . . . 60.34 109.352 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -155.75 132.84 10.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.101 0.56 . . . . 72.1 111.022 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -77.17 97.0 4.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.14 0.576 . . . . 74.12 110.603 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -113.76 -76.58 0.58 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.476 0.71 . . . . 65.42 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.47 53.65 1.31 Allowed 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.409 0.684 . . . . 61.52 110.434 -172.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ptm -66.82 -48.09 69.98 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.446 0.698 . . . . 62.03 112.087 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -85.95 85.15 7.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.782 0.801 . . . . 65.13 109.634 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -112.15 15.6 20.46 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.233 -0.894 . . . . 73.33 111.363 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -144.59 128.13 17.05 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.497 0.719 . . . . 74.23 111.207 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.7 p -139.39 123.59 17.98 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.437 1.095 . . . . 53.24 108.694 170.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -125.26 168.84 12.93 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 112.61 0.596 . . . . 75.24 112.61 -174.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.06 -174.65 4.7 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.898 -1.046 . . . . 65.41 111.03 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 71.99 -72.71 0.11 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.177 1.391 . . . . 72.22 113.792 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.03 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.359 1.464 . . . . 41.54 113.579 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -100.22 82.68 2.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.11 0.964 . . . . 70.25 110.299 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.7 mt 46.24 68.34 0.62 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.728 1.211 . . . . 75.25 113.532 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -70.3 175.23 4.81 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.539 0.736 . . . . 72.45 111.827 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -64.73 -33.98 77.25 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.085 0.469 . . . . 74.13 109.99 176.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 18.2 m-20 -68.27 -35.79 78.42 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.904 0.882 . . . . 72.25 111.981 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.84 -35.19 77.54 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.462 0.705 . . . . 65.4 111.109 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.53 -36.41 76.36 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.567 0.747 . . . . 71.13 111.747 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 77.2 mtp180 -67.89 -34.61 76.99 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.62 0.768 . . . . 65.12 110.668 174.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.99 78.68 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.804 0.842 . . . . 44.32 110.975 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.6 -44.56 96.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.761 0.824 . . . . 75.41 111.361 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.13 76.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.831 0.852 . . . . 53.41 112.162 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.04 -6.96 40.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.61 0.764 . . . . 75.41 112.186 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.8 m80 61.81 58.57 1.93 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.759 1.224 . . . . 75.44 112.078 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 65' ' ' ILE . 23.8 mm -87.71 120.11 70.85 Favored Pre-proline 0 CA--C 1.559 1.317 0 CA-C-N 115.401 -0.818 . . . . 54.31 109.589 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.65 -37.42 91.19 Favored 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 123.248 2.632 . . . . 73.43 114.092 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -101.64 139.54 20.46 Favored Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 123.881 0.872 . . . . 71.22 111.064 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.08 164.23 25.88 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.079 2.519 . . . . 55.54 113.118 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 t -60.74 -32.27 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.68 0.792 . . . . 71.55 111.437 177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -52.97 -41.75 64.86 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 123.738 0.815 . . . . 70.24 111.554 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 mmpt? -73.97 -33.44 63.87 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.327 0.862 . . . . 71.02 113.327 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 37' ' ' VAL . 3.5 mp -58.56 -40.46 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 119.071 0.85 . . . . 73.25 110.172 173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.603 HD13 ' HB2' ' A' ' 73' ' ' LYS . 81.8 mt -77.57 -38.11 25.5 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.473 0 C-N-CA 123.67 0.788 . . . . 74.3 112.316 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -77.95 -40.46 39.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 112.956 0.725 . . . . 63.32 112.956 -173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.2 135.5 96.2 Favored Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 112.517 0.562 . . . . 73.44 112.517 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -70.76 150.72 62.55 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 123.285 2.657 . . . . 75.0 113.037 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.01 -53.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 114.084 1.142 . . . . 63.42 114.084 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 t -62.18 -54.45 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 111.822 0.304 . . . . 72.22 111.822 -174.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.69 -34.13 76.5 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.67 0.788 . . . . 75.31 111.615 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.69 -40.07 76.57 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 115.26 -0.882 . . . . 63.34 111.746 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -66.95 -35.33 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.925 0.49 . . . . 61.45 111.133 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 46' ' ' VAL . 30.2 mm-40 -65.76 -31.97 73.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.199 0.599 . . . . 55.11 111.763 175.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.8 ttm -67.96 -44.53 76.51 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.978 0.511 . . . . 74.01 110.877 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.85 -29.55 64.51 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.827 0.451 . . . . 72.43 112.091 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 t -70.02 -55.49 9.41 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.533 0.733 . . . . 34.11 111.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -74.94 -51.37 13.92 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.905 -1.043 . . . . 72.43 110.098 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.12 81.44 8.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 108.651 -0.87 . . . . 63.12 108.651 170.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -67.52 120.32 13.77 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.911 -0.586 . . . . 74.03 112.071 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 68.6 m-85 -98.52 162.7 13.01 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.579 0.751 . . . . 73.45 111.213 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -69.76 161.74 29.2 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.131 0.572 . . . . 72.32 111.315 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.47 -35.07 71.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.101 0.56 . . . . 75.41 112.199 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.6 76.42 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.786 0.834 . . . . 73.23 111.667 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 48.1 mt-30 -61.57 -51.08 70.04 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.279 0.631 . . . . 75.41 111.591 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 66' ' ' ARG . 99.1 mt -62.71 -28.16 69.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.197 0.999 . . . . 71.23 112.974 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.05 85.17 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.123 0.569 . . . . 72.15 112.258 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.5 tp -76.36 -53.89 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.029 0.531 . . . . 70.42 110.96 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 33' ' ' ILE . 79.9 mt -52.83 -54.49 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.647 1.179 . . . . 74.24 112.478 -174.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD3' ' HB3' ' A' ' 62' ' ' LEU . 11.3 mtp180 -69.76 -35.46 74.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.081 0.952 . . . . 74.53 112.863 -175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.65 -34.93 70.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.153 0.581 . . . . 55.02 112.455 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG21 HG13 ' A' ' 37' ' ' VAL . 62.3 mt -70.42 -30.02 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 122.714 0.406 . . . . 63.04 110.178 171.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -72.41 -29.51 63.79 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.318 0.647 . . . . 72.45 111.711 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 39.1 mmt180 -63.96 -44.38 92.94 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.876 0.47 . . . . 74.12 111.614 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -75.24 -63.49 1.26 Allowed 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.092 0.557 . . . . 71.13 111.28 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.83 36.34 61.5 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 115.926 -0.579 . . . . 64.25 113.449 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.603 ' HB2' HD13 ' A' ' 41' ' ' ILE . 82.8 tttt 70.17 -60.57 0.48 Allowed 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 126.499 1.92 . . . . 64.23 113.209 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -76.22 151.25 36.9 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.671 0.789 . . . . 75.13 111.458 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -88.45 121.22 30.6 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 61.13 111.138 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.46 -30.67 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.285 0.634 . . . . 53.43 110.299 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.45 166.74 0.21 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.496 1.519 . . . . 64.05 113.342 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.01 92.87 9.4 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.426 0.69 . . . . 70.31 110.584 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -75.9 -52.39 10.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.871 0.468 . . . . 74.24 110.523 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -148.79 136.24 20.35 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.825 0.85 . . . . 64.31 109.619 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 69.2 m -133.43 -98.69 0.27 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 123.053 0.541 . . . . 63.04 111.209 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -142.48 154.67 44.74 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.879 0.872 . . . . 65.3 110.226 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -121.71 99.84 6.67 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.613 0.765 . . . . 71.4 110.418 177.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -76.92 91.1 3.55 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.365 0.602 . . . . 73.5 111.001 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -96.91 149.61 21.69 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.159 0.984 . . . . 73.31 110.74 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.83 126.54 29.37 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.917 -0.401 . . . . 74.04 109.917 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.85 -53.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.067 0.547 . . . . 62.02 111.048 -170.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -75.61 90.29 2.79 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.652 0.781 . . . . 62.13 110.719 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 tt -137.56 157.36 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 123.904 0.882 . . . . 72.2 110.075 -174.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 CA--C 1.577 2.019 0 C-N-CA 124.542 1.137 . . . . 73.42 112.798 -175.221 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.4 mtp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 120.242 0.068 . . . . 64.34 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.29 31.5 19.38 Favored Glycine 0 N--CA 1.479 1.555 0 N-CA-C 113.772 0.269 . . . . 64.14 113.772 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -86.58 82.39 7.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.686 0.794 . . . . 71.44 110.48 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -95.0 -19.15 20.44 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.118 0.567 . . . . 64.4 111.226 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.98 85.12 7.22 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.102 0.477 . . . . 73.24 110.023 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -144.62 95.34 2.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.222 0.609 . . . . 65.33 111.509 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -175.19 149.61 1.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.735 1.214 . . . . 71.32 110.229 167.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -123.02 17.45 10.05 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.481 0.712 . . . . 74.44 112.323 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -74.27 81.78 1.85 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.197 0.599 . . . . 40.51 111.214 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -169.52 -20.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.34 1.056 . . . . 75.03 111.284 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.1 mtp -81.28 38.22 0.47 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.007 0.923 . . . . 75.15 112.858 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -77.69 92.69 4.16 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.872 0.844 . . . . 64.51 111.033 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.8 154.08 51.76 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.824 0.85 . . . . 74.34 110.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 t -124.4 93.44 3.91 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.584 0.754 . . . . 74.22 110.226 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.7 m -143.5 102.04 3.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.984 0.914 . . . . 71.03 109.221 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -73.43 92.07 1.82 Allowed 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 121.854 0.835 . . . . 65.43 111.359 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.1 133.36 35.27 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 108.436 -0.95 . . . . 64.52 108.436 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.85 152.78 44.96 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.08 132.92 46.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.439 0.695 . . . . 41.14 110.006 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.57 64.14 8.47 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.437 0.695 . . . . 62.11 109.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -53.9 89.8 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.272 1.212 . . . . 72.22 114.272 -166.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 69.7 p -76.97 166.96 22.63 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.704 -1.134 . . . . 75.3 109.954 166.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.36 -23.24 67.22 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 122.482 0.313 . . . . 74.41 111.063 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.49 -35.12 79.95 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 123.278 0.631 . . . . 60.41 111.667 170.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.535 ' HA ' HG21 ' A' ' 37' ' ' VAL . 35.3 mt-10 -76.38 -34.86 58.87 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.623 0.369 . . . . 42.35 111.764 173.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 22' ' ' THR . 85.5 mt -66.95 -42.64 84.9 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.282 0.633 . . . . 70.3 111.892 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -68.02 -30.45 69.69 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.268 0.627 . . . . 75.34 111.257 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -64.65 -31.39 72.59 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.719 0.808 . . . . 64.54 112.529 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.39 -31.65 72.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.259 0.623 . . . . 71.2 111.829 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.86 93.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.723 0.809 . . . . 73.52 112.601 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD12 HD22 ' A' ' 64' ' ' LEU . 82.3 mt -100.25 -2.03 34.83 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.459 0.704 . . . . 45.42 112.665 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 60.17 60.98 1.93 Allowed 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.045 0.938 . . . . 73.44 111.734 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.14 122.88 85.83 Favored Pre-proline 0 CA--C 1.566 1.559 0 C-N-CA 122.891 0.476 . . . . 75.14 111.052 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -80.64 1.29 9.41 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.155 2.57 . . . . 64.32 114.896 -174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -114.61 155.43 46.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 C-N-CA 123.109 0.563 . . . . 74.12 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.05 131.61 44.5 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.015 1.81 . . . . 72.32 111.114 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HA ' ' A' ' 25' ' ' GLU . 79.7 t -62.22 -35.34 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.177 0.591 . . . . 62.42 111.512 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.24 -49.41 69.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.598 0.759 . . . . 70.11 111.288 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.11 -34.0 72.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.773 0.829 . . . . 70.31 111.841 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.86 -39.75 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 C-N-CA 122.917 0.487 . . . . 54.02 111.32 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.15 -29.32 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 123.062 0.545 . . . . 64.34 111.004 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -84.18 -39.94 18.76 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.506 0.722 . . . . 72.25 112.531 -178.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.0 126.6 81.78 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 122.896 0.478 . . . . 65.14 111.24 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -62.92 149.71 90.68 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.661 2.241 . . . . 72.0 111.697 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.57 -43.28 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 123.41 0.684 . . . . 73.14 111.816 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.98 -45.64 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.512 0.725 . . . . 72.24 112.463 -175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -73.1 -33.8 65.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.395 0.678 . . . . 71.13 111.391 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.76 -35.14 80.11 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.842 0.857 . . . . 71.3 110.696 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -64.2 -28.32 69.67 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.358 1.063 . . . . 73.13 112.966 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.32 -43.19 78.11 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.258 0.552 . . . . 71.21 110.708 174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.0 ttp -66.82 -34.48 77.91 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 70.3 110.997 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.1 -30.81 66.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.719 1.208 . . . . 71.03 111.593 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 t -65.29 -29.69 70.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.088 0.555 . . . . 72.52 111.131 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -85.83 -49.63 7.75 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.749 0.819 . . . . 75.35 109.594 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 101.91 12.73 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.998 0.919 . . . . 71.21 110.017 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -68.97 112.38 5.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.838 0.455 . . . . 75.11 112.169 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.47 148.51 25.43 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.479 0.712 . . . . 74.41 109.989 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -72.13 168.4 18.25 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.989 0.516 . . . . 54.45 111.967 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -48.02 82.41 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.89 1.07 . . . . 74.52 113.89 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.62 -29.45 56.49 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.097 0.559 . . . . 60.13 111.423 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -61.52 -42.11 98.32 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.804 0.842 . . . . 72.23 110.541 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.26 -33.25 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.001 0.92 . . . . 73.04 111.85 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.38 93.76 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.246 0.618 . . . . 75.35 111.788 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 28' ' ' ALA . 45.0 tp -69.06 -47.37 65.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.145 0.578 . . . . 74.32 111.764 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.9 -47.38 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.198 0.599 . . . . 74.34 110.69 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -66.35 -33.49 75.84 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.634 1.174 . . . . 73.01 111.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -44.09 72.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.341 0.656 . . . . 73.54 110.396 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 37' ' ' VAL . 84.1 mt -65.88 -34.47 70.49 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 124.35 1.06 . . . . 73.31 111.387 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.07 -38.32 88.35 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.927 0.891 . . . . 65.43 111.205 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -79.43 -22.48 44.15 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.528 0.731 . . . . 63.2 112.525 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.78 -64.59 0.82 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.824 0.45 . . . . 54.34 110.199 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.36 45.56 65.28 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.848 0.718 . . . . 61.45 113.707 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -76.95 -5.26 47.86 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.244 0.831 . . . . 72.42 113.244 -173.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -101.53 -2.46 30.55 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.888 0.475 . . . . 65.22 111.17 171.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -83.78 53.27 2.5 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.574 0.75 . . . . 72.4 110.461 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.48 -28.43 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 124.447 1.099 . . . . 75.04 112.846 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.25 120.03 32.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.823 0.849 . . . . 60.41 110.013 175.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.24 -9.59 58.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.25 0.62 . . . . 72.43 112.176 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.574 ' N ' HE21 ' A' ' 79' ' ' GLN . 0.0 OUTLIER -119.54 144.47 47.04 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.488 1.115 . . . . 70.22 109.528 178.299 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.9 t30 61.48 133.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 114.949 1.463 . . . . 65.34 114.949 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.4 m -79.9 77.33 6.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.3 -0.63 . . . . 52.11 109.3 166.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -74.15 130.52 39.93 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.671 0.788 . . . . 60.05 111.423 -174.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 64.3 103.7 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.563 1.145 . . . . 72.23 111.54 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -69.52 99.43 1.26 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.042 0.537 . . . . 72.45 111.168 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -66.27 143.71 57.05 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.598 0.759 . . . . 74.43 111.059 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -64.18 146.82 53.63 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.803 0.841 . . . . 72.45 112.98 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -121.5 15.94 11.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.145 0.978 . . . . 74.54 110.937 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -67.49 92.24 0.3 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.216 1.006 . . . . 51.2 112.026 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.408 HG13 HG23 ' A' ' 90' ' ' VAL . 35.7 pt -95.57 -28.35 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.769 0.827 . . . . 75.44 111.006 174.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.408 HG23 HG13 ' A' ' 89' ' ' ILE . 84.6 t . . . . . 0 CA--C 1.56 1.365 0 C-N-CA 124.546 1.138 . . . . 75.52 109.734 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.669 -0.493 . . . . 72.15 109.669 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.25 -25.17 76.04 Favored Glycine 0 CA--C 1.536 1.367 0 N-CA-C 114.702 0.641 . . . . 41.21 114.702 -175.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -95.75 148.47 22.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.213 0.605 . . . . 60.5 111.831 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.52 147.95 31.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.049 0.94 . . . . 62.32 112.875 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -160.35 131.73 5.82 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.141 0.976 . . . . 73.44 110.291 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -90.34 129.99 36.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.062 0.545 . . . . 64.41 110.669 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -104.43 17.14 24.7 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.057 0.943 . . . . 74.24 110.35 173.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -74.2 139.93 44.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.427 0.691 . . . . 75.01 111.432 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.7 m 64.14 22.45 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.555 1.142 . . . . 61.01 112.635 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -74.12 -20.51 60.23 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.061 0.944 . . . . 63.01 110.873 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.8 ptm -70.58 127.8 33.92 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.931 0.893 . . . . 75.2 112.132 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -162.81 -42.7 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.095 0.958 . . . . 65.01 110.815 171.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.4 t60 65.33 124.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.509 1.524 . . . . 64.2 113.306 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.7 p -84.79 131.66 34.51 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.856 0.462 . . . . 71.42 111.112 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -81.52 -23.56 37.21 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.174 0.511 . . . . 62.22 111.014 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -96.25 111.01 23.21 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.726 0.81 . . . . 72.42 110.389 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 21' ' ' LEU . 2.4 pt? -145.3 178.09 8.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.903 0.881 . . . . 74.11 111.034 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.5 -77.09 0.06 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.892 1.277 . . . . 72.43 113.232 176.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.15 102.14 0.06 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.43 1.492 . . . . 63.05 114.7 -168.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m170 60.91 11.42 3.27 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.21 1.404 . . . . 70.54 114.711 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 17' ' ' LEU . 54.0 mt -81.04 99.3 8.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.332 0.587 . . . . 72.42 111.399 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 p -74.19 178.5 5.05 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.464 1.105 . . . . 75.15 112.144 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -42.23 62.65 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.824 0.85 . . . . 74.33 111.821 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.9 m-20 -70.55 -38.46 74.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.661 0.784 . . . . 53.33 112.361 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.03 -33.04 73.62 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.126 0.57 . . . . 65.42 111.305 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -74.93 -30.0 61.12 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.295 0.638 . . . . 73.03 111.918 176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 79.0 mtp180 -66.75 -45.47 78.48 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.311 0.644 . . . . 65.3 110.418 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.81 98.58 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.06 0.944 . . . . 71.54 111.301 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -56.83 -49.26 75.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.11 0.964 . . . . 65.14 111.912 173.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.65 88.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.855 0.862 . . . . 63.32 112.832 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.91 -4.0 33.9 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.402 0.519 . . . . 70.23 112.402 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 65.32 60.55 0.76 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.489 1.116 . . . . 60.02 112.599 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 35' ' ' PHE . 42.4 mm -80.0 129.04 71.74 Favored Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 123.449 0.7 . . . . 71.14 109.495 173.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.78 -10.59 26.66 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.536 2.157 . . . . 63.0 114.022 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.503 ' H ' HG22 ' A' ' 33' ' ' ILE . 49.4 m-85 -108.16 155.72 39.66 Favored Pre-proline 0 N--CA 1.485 1.322 0 C-N-CA 123.702 0.801 . . . . 44.01 110.995 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.87 153.62 58.54 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.833 1.689 . . . . 74.41 110.928 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 68' ' ' ILE . 46.2 t -57.57 -29.14 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 123.735 0.814 . . . . 73.21 112.848 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -49.29 -46.39 46.43 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.395 1.078 . . . . 73.11 112.021 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -41.64 93.03 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.244 0.617 . . . . 70.01 112.271 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.401 ' HA ' ' HE2' ' A' ' 48' ' ' PHE . 2.4 mp -73.67 -29.86 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.525 0 C-N-CA 122.768 0.427 . . . . 74.31 110.594 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.43 -46.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 123.418 0.687 . . . . 72.21 111.787 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -82.16 -53.09 6.36 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.392 0.677 . . . . 65.15 112.047 -170.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.43 120.02 40.98 Favored Pre-proline 0 N--CA 1.493 1.68 0 C-N-CA 122.973 0.509 . . . . 72.41 111.562 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.83 160.42 48.44 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.539 2.159 . . . . 62.04 112.844 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.03 -38.52 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 123.618 0.767 . . . . 75.34 112.726 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.58 -49.67 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 123.08 0.552 . . . . 74.12 111.635 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.53 -34.73 78.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.574 0.75 . . . . 73.31 111.638 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -72.85 -34.36 66.73 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.988 -0.551 . . . . 70.01 111.812 -175.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.08 -40.46 95.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.071 0.549 . . . . 64.43 110.991 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.54 -35.95 70.82 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.766 0.826 . . . . 74.04 111.528 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 tpp -66.69 -39.13 87.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.604 0.762 . . . . 62.41 111.169 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.4 ttp -71.65 -29.71 64.93 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.006 1.323 . . . . 72.32 111.251 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -63.74 -32.61 74.17 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.504 0.722 . . . . 65.05 111.72 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.36 -53.94 5.62 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.343 0.657 . . . . 64.33 110.967 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.69 87.66 4.76 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 70.42 109.255 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.99 95.81 0.98 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.425 0.69 . . . . 73.32 111.248 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -78.04 162.38 26.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.583 0.753 . . . . 74.23 112.027 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -84.01 159.99 21.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.69 0.796 . . . . 63.11 110.937 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.42 -38.15 58.39 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 114.301 1.223 . . . . 64.32 114.301 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.25 66.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.254 0.621 . . . . 75.55 111.534 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.21 -38.86 80.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.648 0.779 . . . . 62.33 111.585 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -37.04 81.8 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.654 0.782 . . . . 74.03 111.917 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.26 93.31 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.111 0.564 . . . . 64.43 111.747 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.77 -54.38 23.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.283 0.633 . . . . 73.51 111.926 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.9 mt -58.92 -38.64 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.961 0.904 . . . . 75.02 111.696 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -61.83 -41.97 98.45 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.578 0.751 . . . . 71.55 111.394 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.2 -55.31 22.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.41 0.684 . . . . 63.22 111.522 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.623 HG21 HG13 ' A' ' 37' ' ' VAL . 76.1 mt -67.17 -36.23 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.817 0.847 . . . . 64.15 112.18 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -63.93 -45.2 90.31 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.321 0.648 . . . . 75.33 110.71 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -71.5 -22.48 61.79 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 115.631 -0.713 . . . . 63.55 111.432 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -88.45 -10.03 50.49 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.134 0.973 . . . . 72.2 110.696 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.39 72.92 1.88 Allowed Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.203 0.43 . . . . 73.12 114.17 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 60.28 -79.53 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 126.031 1.732 . . . . 64.32 113.45 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -96.92 11.3 36.42 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.932 0.893 . . . . 72.43 112.799 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 pttm 45.77 -76.79 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 126.175 1.79 . . . . 74.23 115.293 -176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.84 -77.67 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 C-N-CA 123.767 0.827 . . . . 70.33 110.652 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.9 110.08 0.2 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.768 1.227 . . . . 73.32 109.708 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 69.36 163.42 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.015 1.326 . . . . 73.52 112.692 -174.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -141.38 8.0 1.98 Allowed 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.378 0.609 . . . . 74.41 111.044 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -103.63 154.12 19.86 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.933 0.893 . . . . 65.51 109.269 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.6 t 68.87 -74.47 0.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.072 1.349 . . . . 54.43 111.342 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 57.82 70.78 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.31 1.044 . . . . 74.34 112.306 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -73.62 110.12 7.66 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.547 -0.751 . . . . 74.43 110.136 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -72.47 91.25 1.37 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.258 0.552 . . . . 73.22 110.393 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -130.93 130.73 43.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.94 0.896 . . . . 61.23 108.839 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.74 175.02 7.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.855 0.462 . . . . 73.22 111.37 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 69.45 157.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.71 1.204 . . . . 74.04 111.943 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -80.97 67.47 6.89 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 121.137 0.494 . . . . 75.22 110.567 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.56 144.1 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.953 0.501 . . . . 70.21 111.114 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 CA--C 1.569 1.71 0 C-N-CA 123.222 0.609 . . . . 64.44 111.731 -174.368 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 120.452 0.167 . . . . 64.44 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.2 27.9 0.99 Allowed Glycine 0 N--CA 1.478 1.449 0 CA-C-O 119.622 -0.543 . . . . 70.02 113.724 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 38.14 74.33 0.09 Allowed 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 125.83 1.652 . . . . 72.43 114.413 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -107.97 148.74 29.28 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.584 0.754 . . . . 64.55 112.514 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.93 108.19 15.49 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.983 0.913 . . . . 72.32 110.015 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -141.54 101.06 3.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.601 0.761 . . . . 61.4 109.795 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -151.21 23.65 0.73 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 122.881 0.473 . . . . 71.31 110.635 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -74.62 95.8 2.88 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.139 0.575 . . . . 73.13 110.553 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -151.65 154.32 36.16 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.691 0.796 . . . . 74.13 110.405 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -71.47 134.87 46.87 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.421 0.688 . . . . 75.34 111.536 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.8 ttm -152.45 125.29 8.45 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 70.24 110.448 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.34 -175.59 5.32 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.336 0.654 . . . . 73.12 111.848 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -75.9 73.18 2.81 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 121.311 0.577 . . . . 64.33 110.764 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.5 m -147.65 88.24 1.68 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.11 0.964 . . . . 63.22 110.282 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -95.81 84.44 3.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.997 0.519 . . . . 64.42 109.942 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -144.78 120.56 10.55 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.186 0.594 . . . . 75.33 110.756 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -140.6 -165.68 1.98 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.197 0.999 . . . . 72.33 110.712 175.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -83.81 154.7 23.38 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.345 1.058 . . . . 72.22 112.459 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.22 -176.66 6.25 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.47 0.708 . . . . 70.35 111.008 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 t60 68.1 21.23 8.77 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 124.462 1.105 . . . . 73.42 112.016 177.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt -74.31 96.52 2.84 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.844 -0.535 . . . . 73.2 111.063 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.0 p -75.97 178.54 6.19 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.051 0.94 . . . . 40.34 112.616 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.72 -39.96 82.34 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.466 0.65 . . . . 71.11 110.775 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.55 -29.94 67.63 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.382 -0.826 . . . . 74.34 112.311 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -62.64 -26.8 68.81 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 122.885 0.474 . . . . 62.31 112.033 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.41 -51.33 37.47 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 122.875 0.47 . . . . 61.32 111.146 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -73.57 -30.75 63.23 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.639 0.776 . . . . 75.01 112.131 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -69.85 -49.03 56.43 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.601 0.76 . . . . 71.04 111.049 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 2.8 ttmp? -68.47 -24.04 64.65 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.891 0.876 . . . . 70.24 111.281 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -44.45 68.83 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.495 0.718 . . . . 71.23 111.786 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD12 HD22 ' A' ' 64' ' ' LEU . 62.7 mt -83.52 -4.38 58.48 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 123.197 0.599 . . . . 73.22 111.949 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.13 58.75 0.55 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.19 1.396 . . . . 72.04 112.456 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' PHE . 36.6 mm -70.04 123.72 89.31 Favored Pre-proline 0 CA--C 1.565 1.533 0 C-N-CA 123.325 0.65 . . . . 63.1 109.559 170.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.72 -16.41 37.1 Favored 'Trans proline' 0 N--CA 1.506 2.24 0 C-N-CA 123.529 2.819 . . . . 74.13 114.839 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' ILE . 88.9 m-85 -115.43 164.86 15.8 Favored Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.156 0.983 . . . . 72.14 111.49 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.07 157.36 53.72 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.332 2.021 . . . . 75.12 111.983 160.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.38 -48.88 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 124.152 0.981 . . . . 73.32 112.916 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 47.2 tt0 -68.97 -17.16 63.9 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 112.525 0.565 . . . . 73.34 112.525 -176.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.44 -38.31 87.11 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.903 0.481 . . . . 60.0 110.059 173.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' HG3' ' A' ' 69' ' ' ARG . 2.4 mp -73.01 -42.97 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.893 0.877 . . . . 74.2 110.044 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.501 HG23 ' HA2' ' A' ' 72' ' ' GLY . 68.2 mt -60.77 -41.85 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.818 0.847 . . . . 70.51 112.223 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -40.42 61.09 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 74.01 110.131 -169.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.9 mt -73.21 115.56 42.07 Favored Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 123.453 0.701 . . . . 62.24 111.068 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.75 156.29 33.38 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.983 2.455 . . . . 74.34 112.116 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 78.2 t -56.77 -41.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 53.04 112.988 -171.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.12 -45.24 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.024 0.53 . . . . 64.42 111.294 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.05 -39.71 78.98 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.96 0.904 . . . . 71.22 112.349 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.71 -39.61 61.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 71.23 111.261 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 7.1 m-20 -69.52 -27.24 65.01 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.18 0.592 . . . . 71.21 111.769 176.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.5 -46.02 84.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.373 0.669 . . . . 23.53 110.332 169.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.1 ttm -64.79 -46.13 83.37 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.562 0.745 . . . . 73.53 111.132 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.492 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 1.5 tmt? -63.47 -27.0 68.98 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.571 1.148 . . . . 75.31 112.652 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -62.8 -24.37 67.71 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.428 0.529 . . . . 74.41 112.428 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -111.52 -52.94 2.75 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.263 0.625 . . . . 63.33 110.441 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -91.02 77.5 6.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.641 0.776 . . . . 62.13 110.095 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -78.99 135.15 36.83 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.803 -0.635 . . . . 74.0 111.014 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -92.2 173.18 7.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.46 0.704 . . . . 75.31 109.985 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -70.22 155.21 40.96 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.479 0.312 . . . . 61.21 110.376 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.41 71.09 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.708 1.003 . . . . 65.31 113.708 -171.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.08 60.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.362 0.665 . . . . 73.43 111.752 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -62.84 -40.08 96.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.675 . . . . 72.21 111.329 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.37 -43.56 90.38 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.614 0.766 . . . . 73.22 111.422 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.7 87.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.684 0.794 . . . . 74.23 111.458 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 HD12 ' A' ' 31' ' ' LEU . 36.6 tp -65.25 -44.9 86.66 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.527 -0.76 . . . . 73.4 112.207 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 HG12 ' A' ' 40' ' ' ILE . 19.3 mt -57.77 -46.65 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 124.602 1.161 . . . . 60.11 112.574 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -64.17 -37.2 86.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.053 -0.522 . . . . 72.11 110.941 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.1 -43.86 94.08 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.283 0.633 . . . . 71.35 111.273 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -40.31 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 124.435 1.094 . . . . 60.24 111.548 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' NH1' ' HA ' ' A' ' 45' ' ' VAL . 85.8 mtm180 -72.95 -29.36 63.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.267 0.627 . . . . 74.44 112.393 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.59 -35.62 81.34 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.274 0.63 . . . . 61.44 111.266 171.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -59.79 3.87 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.267 0.627 . . . . 72.22 110.558 172.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.501 ' HA2' HG23 ' A' ' 41' ' ' ILE . . . 65.6 -160.86 43.6 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.69 -0.686 . . . . 73.42 112.895 -173.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -93.15 -71.68 0.64 Allowed 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.267 -0.549 . . . . 75.24 109.784 171.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -130.13 23.09 5.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.963 0.905 . . . . 74.0 109.702 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.53 161.3 19.35 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.073 0.949 . . . . 72.35 112.245 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.6 t -95.43 -48.22 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 124.032 0.933 . . . . 70.12 112.507 -173.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.65 -178.43 0.22 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 125.303 1.441 . . . . 71.31 112.753 -173.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 65.98 15.79 10.21 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.748 1.219 . . . . 74.44 113.683 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -76.11 105.8 7.36 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.57 0.748 . . . . 63.32 111.084 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -87.01 129.73 34.76 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.922 0.489 . . . . 74.24 110.542 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.66 -170.92 2.34 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.694 0.798 . . . . 73.14 111.53 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -61.41 114.75 3.39 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 121.76 0.79 . . . . 75.24 112.874 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 11.4 mmpt? -101.23 32.63 3.19 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.292 1.037 . . . . 54.33 110.705 176.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -67.64 104.12 1.54 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.504 0.722 . . . . 61.31 112.255 -176.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -127.39 125.0 39.89 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.39 0.676 . . . . 72.42 110.18 170.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 tt -75.27 -30.92 60.58 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.233 0.613 . . . . 71.42 109.84 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 104.84 0.26 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.984 0.914 . . . . 64.22 112.689 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -134.84 32.96 3.21 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.553 1.141 . . . . 65.41 108.982 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.4 tt -134.98 125.44 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.897 0.879 . . . . 63.11 110.638 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 CA--C 1.567 1.61 0 C-N-CA 123.304 0.642 . . . . 74.42 111.921 -179.469 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.501 2.102 0 N-CA-C 112.399 0.518 . . . . 74.3 112.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.89 78.26 1.55 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.022 0.344 . . . . 61.12 113.639 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -131.68 178.85 6.44 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.877 0.871 . . . . 74.15 110.39 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -74.72 86.9 2.18 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.472 0.653 . . . . 73.42 110.762 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -106.82 7.97 30.53 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 124.089 0.955 . . . . 71.02 110.434 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -109.05 102.89 11.84 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.822 0.849 . . . . 72.53 109.872 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -59.86 138.25 57.85 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.935 0.894 . . . . 73.14 113.278 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.63 108.15 14.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.089 0.956 . . . . 73.45 110.333 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -119.69 110.74 17.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 112.566 0.58 . . . . 55.22 112.566 -170.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -115.09 130.58 56.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.887 0.875 . . . . 72.55 109.599 169.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt -135.1 93.44 3.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.428 0.691 . . . . 72.4 110.606 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -162.9 100.57 0.99 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.906 0.883 . . . . 71.02 110.216 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -149.62 32.55 0.71 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.867 0.867 . . . . 72.02 109.017 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.4 m -67.1 88.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.006 0.922 . . . . 74.35 111.553 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 m -83.33 71.61 10.24 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.53 0.732 . . . . 62.22 111.668 -174.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -97.18 -178.78 4.3 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.612 0.765 . . . . 72.42 110.488 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -98.13 111.14 23.57 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 108.578 -0.897 . . . . 75.4 108.578 170.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.41 96.51 0.11 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.614 0.765 . . . . 64.12 111.67 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.2 109.28 3.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.824 0.849 . . . . 64.3 110.169 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -140.87 7.86 2.08 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.951 0.901 . . . . 72.43 110.835 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -51.37 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 115.023 1.49 . . . . 71.24 115.023 -164.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -71.33 173.04 8.32 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 115.277 -0.874 . . . . 74.03 110.553 165.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -66.1 -23.78 66.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 122.083 -0.386 . . . . 74.1 112.036 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.88 -40.51 75.65 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.112 0.565 . . . . 62.51 111.058 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 34.5 mt-10 -72.0 -33.95 68.5 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.703 0.801 . . . . 71.45 112.744 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.86 -46.63 88.61 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.998 0.519 . . . . 74.45 111.846 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -73.73 -29.34 62.19 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.159 0.584 . . . . 75.22 112.036 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.44 91.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.592 0.357 . . . . 65.12 111.4 172.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 32.0 mmmt -70.63 -38.05 73.87 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.998 0.519 . . . . 72.44 111.105 176.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.522 0.729 . . . . 73.14 112.37 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 64' ' ' LEU . 85.8 mt -96.05 -0.55 50.26 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 113.149 0.796 . . . . 51.14 113.149 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.55 58.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.964 0.906 . . . . 71.05 112.459 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -79.4 114.41 44.93 Favored Pre-proline 0 CA--C 1.562 1.428 0 N-CA-C 109.13 -0.692 . . . . 74.31 109.13 170.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 -19.29 27.36 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.76 2.307 . . . . 44.12 114.135 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -93.75 159.78 34.0 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.604 0.762 . . . . 75.2 111.452 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.85 154.34 66.97 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.162 1.908 . . . . 73.53 111.066 161.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.88 -30.98 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 123.199 0.599 . . . . 63.55 111.483 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.66 -35.75 77.0 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.23 1.012 . . . . 71.21 111.777 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -61.39 -50.49 72.64 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.765 0.426 . . . . 73.13 111.48 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.94 -38.98 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.048 0.539 . . . . 60.42 110.562 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.31 -53.44 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 C-N-CA 123.338 0.655 . . . . 75.43 111.152 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.94 -5.07 49.95 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 113.627 0.973 . . . . 73.2 113.627 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -112.99 95.65 35.18 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 123.206 0.602 . . . . 71.35 110.422 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.699 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 52.9 Cg_exo -57.11 153.72 37.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.445 2.096 . . . . 65.42 111.392 168.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -47.68 -41.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 C-N-CA 124.079 0.951 . . . . 71.21 113.472 -170.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.47 -42.24 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 123.313 0.645 . . . . 72.24 111.557 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.37 -30.22 61.88 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.986 0.914 . . . . 65.1 111.836 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -72.39 -34.4 67.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.946 0.899 . . . . 71.15 109.776 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -62.62 -27.13 69.0 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.811 0.844 . . . . 73.11 112.563 174.669 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.49 -47.71 81.18 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.177 0.513 . . . . 73.54 110.554 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.6 tpt -69.45 -44.3 71.55 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.313 0.645 . . . . 74.32 111.451 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.552 ' HB3' ' HA ' ' A' ' 49' ' ' ASN . 23.7 ttt -65.75 -36.84 84.7 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 124.282 1.033 . . . . 70.23 113.169 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -58.25 -24.62 59.94 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.718 1.006 . . . . 65.44 113.718 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -80.09 -41.38 25.68 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 113.139 0.792 . . . . 72.4 113.139 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -132.16 -36.05 1.17 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 113.04 0.755 . . . . 75.14 113.04 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 66.04 172.79 0.23 Allowed 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 125.143 1.377 . . . . 75.01 113.286 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -127.55 171.29 11.75 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.381 1.072 . . . . 73.42 109.739 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.464 HD22 ' NE2' ' A' ' 61' ' ' GLN . 37.0 m-80 -70.65 153.53 42.75 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 122.93 0.492 . . . . 60.22 110.954 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.93 -28.15 69.33 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.342 0.868 . . . . 75.11 113.342 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -71.4 -39.71 70.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.9 0.48 . . . . 45.11 111.424 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.464 ' NE2' HD22 ' A' ' 58' ' ' ASN . 81.4 mt-30 -63.14 -54.49 36.93 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.414 0.686 . . . . 74.44 110.879 174.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.99 -38.04 64.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.458 1.103 . . . . 62.24 112.748 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.94 -56.47 18.82 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 53.12 111.218 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.595 HD22 HD12 ' A' ' 31' ' ' LEU . 47.9 tp -60.73 -39.25 87.96 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.472 0.709 . . . . 74.43 112.9 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.43 -37.56 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.089 0.956 . . . . 62.15 111.28 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.99 -39.51 83.25 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.737 0.415 . . . . 73.13 111.854 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.93 -49.32 75.22 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.238 0.615 . . . . 75.45 111.654 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.46 -37.48 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.599 0.759 . . . . 62.52 111.668 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -72.06 -35.06 69.19 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.354 0.662 . . . . 71.23 110.768 178.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -71.37 -32.78 68.88 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.938 0.895 . . . . 72.15 111.321 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.9 -59.64 2.62 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 123.737 0.815 . . . . 74.12 109.611 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.88 87.46 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.987 -0.551 . . . . 62.43 111.931 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.79 12.32 4.94 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.792 1.034 . . . . 75.21 113.792 -171.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 55.5 47.58 20.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.265 0.626 . . . . 70.03 109.864 -163.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 87.3 tttt 69.81 142.5 0.05 OUTLIER 'General case' 0 C--N 1.368 1.382 0 C-N-CA 124.936 1.294 . . . . 63.41 110.951 -169.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.11 -41.03 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.116 0.484 . . . . 73.22 110.911 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . . . -83.74 80.65 9.06 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 109.131 -0.692 . . . . 74.23 109.131 164.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.09 109.51 3.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.475 0.71 . . . . 51.45 111.955 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -99.19 152.51 19.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.283 0.633 . . . . 64.12 111.358 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.72 -6.73 59.09 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.322 0.649 . . . . 72.12 111.865 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.62 135.07 50.87 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.744 0.817 . . . . 72.22 112.493 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -133.62 125.81 29.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.323 1.049 . . . . 73.54 110.212 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -87.62 122.68 31.62 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.664 0.785 . . . . 73.3 109.517 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -167.66 130.58 1.64 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.331 0.652 . . . . 62.32 111.039 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.83 144.03 27.94 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.837 0.455 . . . . 74.34 110.703 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -103.65 170.59 7.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.557 0.743 . . . . 62.1 111.299 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -143.76 134.59 25.25 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.526 0.73 . . . . 74.44 110.382 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -150.24 173.35 14.05 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.195 0.598 . . . . 74.35 110.103 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 89' ' ' ILE . 3.3 mp -62.1 -32.96 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 124.628 1.171 . . . . 73.55 110.627 176.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 CA--C 1.572 1.826 0 C-N-CA 124.249 1.019 . . . . 74.44 110.25 171.543 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.8 -0.444 . . . . 72.23 109.8 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.72 -112.61 4.77 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 114.902 0.721 . . . . 62.31 114.902 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 63.36 89.56 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.163 1.385 . . . . 74.53 112.734 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -129.74 136.16 49.32 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.324 1.05 . . . . 65.32 109.986 174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -97.89 -72.54 0.64 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.794 0.437 . . . . 75.15 111.272 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 57.22 92.72 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.712 1.205 . . . . 75.12 110.887 -169.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -62.18 95.86 0.07 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.488 0.715 . . . . 73.52 111.079 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -76.81 85.9 3.4 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.386 0.612 . . . . 71.23 110.097 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -68.88 146.62 52.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.212 -0.904 . . . . 73.13 111.561 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -151.94 14.93 0.64 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.24 0.616 . . . . 75.23 112.341 -171.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.5 mpt? -70.98 -16.15 62.62 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.562 0.745 . . . . 54.24 112.827 -171.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -106.62 138.31 43.02 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.834 0.853 . . . . 34.33 110.333 175.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -148.96 130.9 15.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.377 0.671 . . . . 71.24 111.245 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.0 p -116.2 88.39 2.88 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.09 0.956 . . . . 74.31 108.547 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 m -81.1 71.53 8.09 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.429 -0.805 . . . . 63.04 113.134 -165.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.61 118.6 0.85 Allowed 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.516 0.726 . . . . 73.22 111.038 171.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -148.56 104.11 3.46 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 108.341 -0.985 . . . . 60.44 108.341 167.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 58.09 23.55 10.22 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.165 0.586 . . . . 52.03 112.47 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.75 86.02 2.76 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.754 0.822 . . . . 62.41 111.1 -175.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -160.45 68.15 0.36 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.268 0.627 . . . . 73.22 110.499 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.1 mt 52.78 67.05 1.05 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.952 1.301 . . . . 75.23 113.409 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.552 HG22 ' HG2' ' A' ' 25' ' ' GLU . 15.4 t -81.52 178.25 8.47 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.872 0.469 . . . . 64.01 111.131 172.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 26' ' ' LEU . 89.4 mtt180 -56.79 -36.1 69.49 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.41 0.624 . . . . 63.15 111.4 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.2 m-20 -69.48 -37.51 77.3 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.037 -0.983 . . . . 70.13 112.307 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.552 ' HG2' HG22 ' A' ' 22' ' ' THR . 65.7 mm-40 -66.12 -31.73 72.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 122.148 -0.345 . . . . 71.34 111.439 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 23' ' ' ARG . 82.0 mt -65.13 -50.54 65.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.575 0.75 . . . . 72.01 111.623 177.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.51 -30.39 68.23 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.164 0.586 . . . . 63.32 111.881 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.21 0.604 . . . . 72.25 111.405 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.66 -41.51 92.44 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.188 0.595 . . . . 65.5 111.069 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.89 94.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.739 0.816 . . . . 72.15 112.507 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 HD22 ' A' ' 64' ' ' LEU . 93.5 mt -90.35 -11.96 39.09 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.086 0.554 . . . . 65.43 112.172 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m80 69.22 58.89 0.34 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.97 1.308 . . . . 52.55 113.015 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 40' ' ' ILE . 12.9 mm -78.06 126.65 83.38 Favored Pre-proline 0 CA--C 1.567 1.631 0 N-CA-C 109.637 -0.505 . . . . 61.24 109.637 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -56.06 -20.9 32.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.525 2.817 . . . . 70.2 115.406 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -128.3 147.24 62.83 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 123.828 0.851 . . . . 74.34 110.804 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.9 162.37 42.39 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.708 2.272 . . . . 61.14 112.69 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 24' ' ' ASP . 88.2 t -61.53 -31.8 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.624 0.77 . . . . 70.54 112.37 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.59 -47.22 49.57 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.878 0.471 . . . . 74.24 110.862 168.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -69.11 -36.61 77.71 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 113.261 0.837 . . . . 75.13 113.261 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 33' ' ' ILE . 3.5 mp -59.14 -34.51 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 CA-C-N 119.022 0.828 . . . . 74.22 110.998 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -83.72 -46.13 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.369 0 C-N-CA 123.124 0.57 . . . . 73.22 111.713 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -76.81 -39.17 52.33 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.544 0.737 . . . . 62.13 112.647 -166.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.92 110.85 3.33 Favored Pre-proline 0 CA--C 1.56 1.35 0 C-N-CA 123.35 0.66 . . . . 74.12 110.788 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.42 157.84 48.4 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.912 2.408 . . . . 64.43 113.169 -175.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.14 -49.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.827 1.251 . . . . 74.33 114.124 -169.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.62 -58.65 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.496 0.318 . . . . 73.11 111.603 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.87 -35.7 71.33 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.907 0.883 . . . . 72.45 112.847 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.31 -56.23 5.12 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.646 1.178 . . . . 74.0 111.556 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.56 -29.49 65.95 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.848 0.685 . . . . 74.01 112.848 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -25.82 60.73 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.067 0.547 . . . . 74.5 112.086 173.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -74.29 -42.79 58.95 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.6 0.714 . . . . 62.51 110.489 172.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 65' ' ' ILE . 50.7 mtm -78.19 -8.7 58.63 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 113.861 1.06 . . . . 64.53 113.861 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -53.29 -42.08 66.25 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 114.783 1.401 . . . . 74.04 114.783 -167.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.12 -32.31 70.27 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.169 0.587 . . . . 73.33 112.012 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.94 82.67 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.345 1.458 . . . . 73.24 112.916 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -90.64 9.18 30.74 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.445 0.698 . . . . 62.13 110.877 169.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.61 166.46 15.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.39 1.076 . . . . 74.24 111.183 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.469 HD22 ' NE2' ' A' ' 61' ' ' GLN . 34.3 m-80 -95.13 169.38 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.257 0.623 . . . . 42.31 111.195 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -39.32 66.1 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.935 0.894 . . . . 64.51 113.185 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.33 -34.39 61.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.524 0.73 . . . . 73.42 111.711 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' NE2' HD22 ' A' ' 58' ' ' ASN . 81.4 mt-30 -65.54 -47.44 75.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.437 0.695 . . . . 74.02 111.482 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.1 -48.79 80.32 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.201 0.6 . . . . 60.34 110.89 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.14 71.22 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.537 0.735 . . . . 42.34 112.453 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD22 HD12 ' A' ' 31' ' ' LEU . 28.9 tp -66.93 -42.05 86.01 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.91 0.484 . . . . 71.34 111.985 177.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.544 HD13 ' SD ' ' A' ' 52' ' ' MET . 88.0 mt -54.28 -48.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.844 0.858 . . . . 72.02 111.806 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.8 -36.01 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.27 0.628 . . . . 74.22 111.102 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.23 -43.99 95.58 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.411 1.084 . . . . 75.13 111.494 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD13 HG13 ' A' ' 37' ' ' VAL . 70.9 mt -68.51 -44.91 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.87 0.868 . . . . 74.12 111.16 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -56.16 -27.08 52.97 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.493 1.117 . . . . 72.25 113.908 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -57.43 -43.87 84.19 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 122.543 0.337 . . . . 64.13 111.587 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -22.59 21.96 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.134 0.574 . . . . 72.23 111.232 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.83 51.55 4.31 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 114.218 0.447 . . . . 74.32 114.218 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -113.97 -21.34 10.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.991 1.316 . . . . 73.31 110.705 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.56 134.14 42.19 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.222 1.009 . . . . 71.12 112.12 -175.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -79.66 155.92 27.83 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.503 0.721 . . . . 62.43 112.042 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.21 -63.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.023 0.529 . . . . 73.33 110.809 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 57.05 80.1 0.17 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.575 1.15 . . . . 70.33 111.669 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.37 94.39 2.05 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.443 0.697 . . . . 72.45 112.37 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -146.66 149.56 33.71 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.703 1.201 . . . . 73.44 108.73 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.13 108.01 1.43 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.212 0.605 . . . . 61.1 111.867 -174.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 86.1 m -88.34 143.77 26.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.703 0.801 . . . . 71.54 111.642 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -87.67 -176.23 5.46 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.623 0.769 . . . . 74.03 111.772 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -69.21 86.67 0.4 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.544 0.738 . . . . 73.24 110.576 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.93 98.36 5.31 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.468 0.707 . . . . 54.33 111.875 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -81.39 116.57 21.28 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 108.99 -0.744 . . . . 74.53 108.99 162.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.02 79.04 2.2 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 109.222 -0.659 . . . . 72.34 109.222 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 59.42 -175.84 0.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.913 1.285 . . . . 73.11 111.897 -170.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -139.85 162.43 35.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.533 0.733 . . . . 74.52 111.076 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 mp 67.62 123.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 124.837 1.255 . . . . 70.4 112.032 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 CA--C 1.567 1.604 0 C-N-CA 123.665 0.786 . . . . 71.1 111.118 176.224 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.8 mtt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 110.52 -0.178 . . . . 75.41 110.52 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.79 93.78 0.11 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 113.849 0.3 . . . . 30.31 113.849 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -109.33 140.15 43.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.426 0.69 . . . . 52.1 110.565 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -141.12 160.07 40.87 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.712 0.805 . . . . 74.3 111.229 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -151.18 141.66 22.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.778 0.831 . . . . 73.33 110.225 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -100.86 133.39 45.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.541 0.736 . . . . 73.54 109.699 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -136.76 175.71 9.36 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.441 0.639 . . . . 61.45 112.168 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -151.72 130.09 12.08 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.642 1.177 . . . . 60.42 109.471 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -127.83 -60.64 1.15 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.996 0.518 . . . . 74.53 112.338 -169.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -71.14 88.74 0.82 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.335 0.654 . . . . 62.42 111.893 -174.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.2 mmt -95.01 78.17 3.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.61 0.764 . . . . 71.14 110.081 175.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -129.69 174.11 10.0 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.163 0.985 . . . . 61.24 111.331 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -90.9 -47.68 7.46 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 109.032 -0.729 . . . . 73.53 109.032 165.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 t -166.35 142.12 4.71 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.079 0.951 . . . . 74.52 111.054 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.1 m -153.05 104.37 2.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.879 0.872 . . . . 72.22 110.875 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -86.27 89.24 7.79 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.932 0.493 . . . . 64.14 111.263 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -147.98 163.86 35.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.688 0.795 . . . . 71.24 110.116 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.92 108.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.108 0.963 . . . . 72.24 111.655 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.11 -54.64 7.37 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.24 0.616 . . . . 61.13 112.19 -176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -170.01 10.52 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 C-N-CA 123.063 0.545 . . . . 75.23 111.643 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt 58.6 58.82 3.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.433 1.111 . . . . 74.33 110.724 -165.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.8 p -80.75 179.02 8.0 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 113.756 -1.565 . . . . 54.32 109.759 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -51.37 -42.7 61.52 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.529 0.937 . . . . 75.15 113.529 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.26 -44.94 88.59 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.437 0.637 . . . . 62.41 111.58 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.24 -29.24 62.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.424 1.09 . . . . 54.21 112.249 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 22' ' ' THR . 84.6 mt -71.39 -34.94 70.84 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.516 0.727 . . . . 52.43 110.81 177.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -71.57 -40.6 69.84 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.785 0.834 . . . . 73.54 110.6 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.14 98.23 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.451 0.7 . . . . 62.04 111.068 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.59 -33.3 73.81 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.047 0.539 . . . . 74.23 111.167 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.99 97.83 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.704 0.801 . . . . 74.55 112.448 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -103.49 11.03 36.88 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.199 0.6 . . . . 74.53 112.482 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 57.57 55.73 5.43 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.707 1.203 . . . . 74.32 112.882 173.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.69 120.59 80.62 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.094 0.558 . . . . 72.15 109.697 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.94 -23.6 29.79 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.541 2.16 . . . . 72.44 113.141 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.0 152.32 55.99 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 123.37 0.668 . . . . 72.44 110.761 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.41 165.33 32.99 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 121.704 1.603 . . . . 75.32 111.373 163.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 68' ' ' ILE . 59.1 t -60.94 -37.46 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.267 0.627 . . . . 73.23 110.709 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.23 -48.78 80.33 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 124.583 1.153 . . . . 72.05 111.202 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE3' HD11 ' A' ' 43' ' ' LEU . 60.3 tptt -54.99 -54.99 35.84 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.225 1.01 . . . . 74.33 112.671 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 65' ' ' ILE . 92.3 mt -59.35 -36.99 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.792 0.837 . . . . 70.43 112.207 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.61 -46.37 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 122.793 0.437 . . . . 63.31 111.427 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -76.03 -15.62 60.1 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 112.786 0.661 . . . . 71.22 112.786 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD11 ' HE3' ' A' ' 39' ' ' LYS . 75.5 mt -79.54 115.81 56.14 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 122.923 0.489 . . . . 65.04 111.27 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.8 156.94 63.71 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 122.927 2.418 . . . . 60.32 112.051 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -58.82 -47.64 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.752 0.821 . . . . 64.01 113.033 -169.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -46.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 122.804 0.442 . . . . 73.31 111.763 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 -42.28 98.71 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.921 0.888 . . . . 73.21 111.707 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.74 -36.02 65.12 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.184 -0.916 . . . . 73.04 112.119 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -67.0 -39.52 87.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.13 0.572 . . . . 71.33 110.649 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' HE3' ' A' ' 54' ' ' LYS . 33.4 tt0 -64.64 -39.49 93.8 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.024 -0.534 . . . . 71.43 110.322 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.66 -45.61 89.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.793 0.837 . . . . 51.54 112.134 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -75.18 -16.96 60.47 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 112.253 0.464 . . . . 62.21 112.253 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.6 m -82.21 -16.45 49.61 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.75 0.42 . . . . 73.34 111.825 173.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' HE3' ' HG2' ' A' ' 50' ' ' GLU . 94.9 mttt -92.05 -48.38 6.77 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.575 0.75 . . . . 74.15 110.18 172.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -128.4 97.17 4.64 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.476 1.11 . . . . 73.42 109.252 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.8 156.07 19.17 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.564 0.579 . . . . 73.54 112.564 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -126.17 177.05 6.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.665 0.786 . . . . 75.13 110.578 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.482 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 24.9 t-20 -69.76 155.45 40.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.308 0.643 . . . . 74.2 111.614 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.92 -38.95 83.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.907 0.883 . . . . 62.42 112.704 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.23 80.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.377 0.671 . . . . 61.23 111.617 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 45.3 mt-30 -64.58 -49.98 69.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.96 0.504 . . . . 65.43 110.797 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 88.6 mt -61.79 -32.95 73.27 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.914 0.885 . . . . 75.24 111.779 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.37 88.29 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.279 0.632 . . . . 73.54 111.634 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.8 -45.21 94.85 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.164 0.586 . . . . 64.41 111.594 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 40' ' ' ILE . 62.3 mt -54.12 -42.1 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.42 1.088 . . . . 75.52 112.301 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 61.4 mtt180 -58.04 -42.45 85.41 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.254 0.622 . . . . 54.23 111.075 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.46 -39.77 85.35 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.036 0.535 . . . . 62.12 111.136 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 HG13 ' A' ' 37' ' ' VAL . 81.0 mt -61.87 -43.12 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.755 0.822 . . . . 75.2 111.054 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -59.57 -43.42 93.63 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.868 0.867 . . . . 73.23 111.634 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -75.85 -22.21 56.46 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.719 0.808 . . . . 75.21 112.08 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -66.6 -40.89 89.09 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.104 0.962 . . . . 75.41 111.154 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.9 87.88 1.57 Allowed Glycine 0 CA--C 1.534 1.238 0 CA-C-N 116.39 -0.368 . . . . 72.24 112.233 174.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -80.14 19.02 0.77 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.495 1.294 . . . . 71.42 114.495 -174.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.505 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER 61.65 38.1 15.54 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.895 0.878 . . . . 73.42 111.956 172.212 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -61.77 117.69 6.18 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.727 0.811 . . . . 73.44 111.64 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t 71.17 -16.23 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.022 0 C-N-CA 125.582 1.553 . . . . 64.13 112.678 -175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.22 139.19 50.02 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.562 0.745 . . . . 61.42 111.856 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.85 28.05 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.601 1.16 . . . . 55.23 111.823 -171.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.04 73.4 0.48 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.978 1.311 . . . . 73.25 110.65 -173.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -103.69 100.29 10.11 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.427 -0.806 . . . . 73.21 110.497 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t 67.28 167.75 0.24 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.135 1.374 . . . . 71.13 113.405 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -88.23 -171.49 3.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.624 0.769 . . . . 74.24 111.334 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -133.84 159.49 40.49 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.299 0.571 . . . . 71.14 111.851 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -85.89 -173.23 4.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.877 0.871 . . . . 74.54 111.026 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -113.85 153.62 28.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.714 0.806 . . . . 70.0 109.379 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.4 pt? -121.25 80.82 1.7 Allowed 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.405 0.621 . . . . 61.1 109.718 174.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.35 108.29 1.29 Allowed 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.69 0.757 . . . . 72.34 111.499 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -94.32 43.59 1.1 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.159 0.983 . . . . 60.41 111.569 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 tt -64.05 -36.62 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 124.189 0.996 . . . . 70.42 112.351 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 CA--C 1.575 1.916 0 C-N-CA 125.095 1.358 . . . . 61.22 112.013 -176.596 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.81 0.338 . . . . 65.55 110.606 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.45 -172.68 38.14 Favored Glycine 0 C--N 1.353 1.524 0 N-CA-C 114.836 0.695 . . . . 71.01 114.836 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -147.91 132.34 17.63 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.912 0.885 . . . . 73.42 110.027 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -107.04 120.37 41.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.636 0.775 . . . . 64.31 111.244 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -167.78 -24.14 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.383 1.073 . . . . 74.45 110.646 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -85.96 134.72 33.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.636 1.174 . . . . 74.12 111.699 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -100.52 154.14 18.8 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 122.762 0.425 . . . . 61.34 110.927 172.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -123.26 160.23 27.07 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.455 0.702 . . . . 73.02 111.24 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.1 p -141.18 -160.62 1.1 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.039 0.936 . . . . 71.02 110.878 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 74.76 128.35 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 125.437 1.495 . . . . 73.54 112.613 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.8 tpt -148.16 135.49 20.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.012 0.525 . . . . 62.5 110.68 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -147.56 134.09 19.79 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.702 0.801 . . . . 74.05 110.666 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -163.32 95.69 0.85 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.883 0.873 . . . . 74.3 109.891 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.8 t -105.94 106.55 17.11 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.308 0.643 . . . . 75.42 110.227 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 m -75.95 86.4 2.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.293 0.637 . . . . 52.44 110.538 176.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.23 20.87 8.6 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.7 0.8 . . . . 75.12 112.172 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 18' ' ' GLU . 1.1 tm? -111.08 143.8 41.23 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 108.433 -0.951 . . . . 72.44 108.433 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' HD13 ' A' ' 17' ' ' LEU . 42.8 mt-10 -60.53 95.39 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.75 0.82 . . . . 50.45 112.741 -174.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.1 136.74 16.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.477 1.111 . . . . 74.42 110.39 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 56.22 35.71 26.22 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.27 1.028 . . . . 74.24 112.927 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.45 87.5 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.386 0.612 . . . . 65.2 111.667 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 p -83.59 176.03 9.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 63.4 110.8 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.84 -27.18 67.89 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 122.915 0.486 . . . . 71.23 112.234 175.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 4.9 m-20 -73.36 -47.67 40.39 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.647 0.779 . . . . 45.13 110.651 173.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.13 -33.33 73.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 122.918 0.487 . . . . 44.45 111.707 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.09 72.93 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.353 0.661 . . . . 45.24 112.348 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 7.2 ptp180 -72.4 -33.5 67.21 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.864 0.302 . . . . 62.02 110.628 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.64 78.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.367 0.667 . . . . 54.11 110.827 174.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -59.68 -32.03 70.11 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 124.531 1.132 . . . . 71.32 112.127 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.66 92.27 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.555 0.742 . . . . 54.2 112.451 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.1 mt -97.97 9.6 42.36 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 122.959 0.504 . . . . 72.15 112.28 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.69 49.37 3.0 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.993 0.917 . . . . 61.21 112.752 168.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 35' ' ' PHE . 38.7 mm -70.58 123.2 88.65 Favored Pre-proline 0 CA--C 1.564 1.482 0 C-N-CA 123.188 0.595 . . . . 72.34 110.112 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.29 -9.43 10.6 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.511 2.807 . . . . 60.42 115.373 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' H ' HG22 ' A' ' 33' ' ' ILE . 64.8 m-85 -124.34 155.43 68.49 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.992 0.917 . . . . 71.54 111.364 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.22 161.85 41.13 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.768 2.312 . . . . 51.33 113.102 168.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 68' ' ' ILE . 33.9 t -64.6 -42.84 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 123.404 0.682 . . . . 62.12 110.993 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -47.3 -37.24 10.46 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.632 1.173 . . . . 73.13 112.081 171.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.64 -55.33 13.71 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.314 0.646 . . . . 71.55 112.362 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -63.39 -37.83 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 C-N-CA 123.114 0.566 . . . . 72.22 111.703 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.82 -39.86 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.126 0.571 . . . . 75.21 112.287 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -90.97 -4.25 56.62 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.383 0.512 . . . . 65.5 112.383 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.25 112.4 47.64 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.422 0.689 . . . . 73.51 110.508 168.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.82 154.87 73.07 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.649 2.233 . . . . 74.14 111.831 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.79 -48.16 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 C-N-CA 123.72 0.808 . . . . 53.12 113.091 -170.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.65 -39.47 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.333 0 C-N-CA 123.008 0.523 . . . . 55.14 111.973 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.75 -37.19 59.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.511 0.725 . . . . 72.15 112.153 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -72.79 -42.39 63.95 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.728 -0.214 . . . . 74.34 110.959 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -65.18 -28.45 69.4 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.237 0.615 . . . . 71.53 111.413 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -63.78 -49.21 73.83 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.491 0.716 . . . . 75.44 109.509 170.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -63.16 -40.53 97.82 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.926 1.29 . . . . 64.2 111.849 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -75.7 -29.94 59.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.346 1.459 . . . . 75.34 111.391 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 t -76.52 -33.71 58.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.332 0.653 . . . . 74.54 111.361 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -68.36 -53.63 22.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.769 0.828 . . . . 72.23 111.649 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -117.54 93.38 4.14 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.966 0.906 . . . . 73.42 109.006 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.79 124.74 28.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.995 -1.002 . . . . 72.15 112.461 -170.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -87.54 170.74 11.06 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.868 0.867 . . . . 71.2 110.85 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -72.66 154.1 40.89 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.023 0.529 . . . . 62.21 110.511 172.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.95 -32.15 73.48 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.078 0.77 . . . . 61.05 113.078 -173.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.9 86.96 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.361 0.664 . . . . 63.12 111.201 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.59 -43.37 98.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 115.764 -0.653 . . . . 64.41 110.873 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.33 -46.28 90.45 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.613 0.765 . . . . 62.53 111.865 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.36 73.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.767 0.827 . . . . 73.51 112.101 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 tp -69.14 -47.87 63.88 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.876 -0.602 . . . . 74.31 112.205 175.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.86 -32.82 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.499 0.719 . . . . 65.14 111.469 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.69 -46.5 88.87 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.323 0.649 . . . . 63.11 110.931 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.29 -43.93 92.53 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.317 0.647 . . . . 52.52 111.712 175.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.752 HG23 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -58.79 -46.91 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 124.265 1.026 . . . . 73.3 111.877 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -39.7 68.23 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.501 0.721 . . . . 73.43 110.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -64.86 -30.07 71.05 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.748 0.819 . . . . 72.04 112.603 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -84.4 -24.89 29.43 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.921 0.489 . . . . 75.33 111.549 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.81 70.22 2.31 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 121.182 0.323 . . . . 74.52 112.367 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -91.04 12.15 20.72 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.117 0.967 . . . . 71.54 113.08 -173.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -68.85 131.93 45.93 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.015 0.526 . . . . 62.22 110.507 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -74.53 76.71 1.96 Allowed 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 122.106 0.955 . . . . 72.11 111.616 -176.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.94 -30.77 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.705 0.802 . . . . 74.1 111.784 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.75 110.59 21.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.6 0.76 . . . . 72.54 110.74 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.02 141.18 48.35 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.721 0.808 . . . . 62.52 111.256 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -64.61 -21.39 66.7 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.009 0.923 . . . . 74.13 112.789 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -64.1 124.26 21.17 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.706 0.802 . . . . 73.43 111.279 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.6 p -77.16 116.43 17.79 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.462 0.305 . . . . 54.24 110.296 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.76 116.03 2.49 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.358 0.663 . . . . 74.55 112.107 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -80.43 165.93 21.74 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.015 0.526 . . . . 74.2 111.663 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.05 29.76 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.66 0.384 . . . . 64.43 111.21 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.3 95.85 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.955 -0.387 . . . . 75.44 109.955 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.57 89.28 0.36 Allowed 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 121.533 0.682 . . . . 63.25 110.329 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.87 132.82 54.29 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 114.331 -1.304 . . . . 73.25 112.336 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -102.67 140.19 37.27 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.576 0.751 . . . . 64.1 111.777 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.5 pt -82.5 175.16 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 123.595 0.758 . . . . 72.21 111.604 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 CA--C 1.567 1.622 0 C-N-CA 123.22 0.608 . . . . 73.1 110.397 175.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 112.156 0.428 . . . . 72.42 112.156 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.92 164.23 48.2 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 113.757 0.263 . . . . 75.04 113.757 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -70.81 135.79 48.35 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.145 0.578 . . . . 74.15 111.931 -176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -145.37 131.68 19.58 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.782 0.833 . . . . 63.01 111.505 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.15 79.55 0.68 Allowed 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 121.899 0.857 . . . . 75.11 111.996 172.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -141.18 115.86 9.63 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.702 0.801 . . . . 75.1 110.555 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -136.43 25.82 3.17 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.838 0.855 . . . . 70.03 110.155 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -76.37 176.93 7.73 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.693 0.797 . . . . 61.41 112.504 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -81.62 135.73 35.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.247 0.619 . . . . 44.51 111.873 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -90.18 83.32 6.01 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.043 0.925 . . . . 54.52 110.386 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.3 mtp -113.13 128.36 56.46 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.486 0.714 . . . . 71.23 112.041 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -92.3 122.79 35.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.823 0.849 . . . . 71.44 109.356 170.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -83.74 -55.89 4.01 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.747 0.419 . . . . 70.03 111.915 -174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.6 p -152.95 152.81 31.87 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 71.05 112.063 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 m -119.86 73.21 0.96 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.749 1.219 . . . . 71.51 108.54 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' H ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.96 85.12 0.98 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.904 0.859 . . . . 64.32 112.074 -175.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.99 103.19 4.39 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.422 -0.808 . . . . 53.14 109.338 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.74 137.32 47.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.549 0.74 . . . . 72.34 111.007 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.45 55.58 2.25 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.454 1.101 . . . . 72.31 111.995 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -73.63 -2.89 24.92 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.535 0.939 . . . . 71.24 113.535 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.76 91.88 1.17 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.792 1.034 . . . . 63.14 113.792 -168.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -80.2 177.52 8.9 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.725 -0.67 . . . . 73.02 109.537 163.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.51 70.94 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.951 -0.468 . . . . 75.5 110.841 176.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.94 -38.95 87.1 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.261 0.625 . . . . 61.52 111.909 173.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.03 -42.86 96.95 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.201 0.601 . . . . 74.12 111.752 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -51.25 68.08 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.163 0.585 . . . . 62.41 111.696 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -68.86 -30.39 68.9 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.139 0.575 . . . . 73.3 111.695 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -52.37 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.953 0.501 . . . . 63.43 111.541 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -68.58 -31.76 71.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.2 111.777 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -31.98 73.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.664 0.786 . . . . 62.11 111.924 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 64' ' ' LEU . 86.6 mt -97.11 -13.85 21.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.425 0.69 . . . . 55.02 112.087 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 m80 67.24 58.69 0.54 Allowed 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.481 1.112 . . . . 64.15 112.188 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.9 mm -68.66 121.2 80.19 Favored Pre-proline 0 CA--C 1.559 1.291 0 N-CA-C 108.54 -0.911 . . . . 72.52 108.54 166.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.01 -27.08 74.01 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.379 2.053 . . . . 71.4 113.515 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HZ ' ' HG2' ' A' ' 51' ' ' MET . 30.6 m-85 -98.0 151.57 37.62 Favored Pre-proline 0 N--CA 1.487 1.392 0 C-N-CA 123.375 0.67 . . . . 72.05 111.106 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.62 153.66 47.66 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.214 1.943 . . . . 72.44 112.244 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.17 -29.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 123.651 0.781 . . . . 30.43 111.584 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.34 -51.69 32.88 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.32 1.048 . . . . 71.31 112.452 170.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.57 -33.2 75.37 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.713 1.005 . . . . 75.22 113.713 -173.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.29 -29.82 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.596 0 CA-C-O 121.459 0.647 . . . . 71.02 109.788 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.37 -36.74 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.627 0 C-N-CA 124.318 1.047 . . . . 72.42 112.537 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -99.59 -33.83 10.47 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.695 0.998 . . . . 74.33 113.695 -168.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.98 127.73 87.67 Favored Pre-proline 0 N--CA 1.487 1.404 0 CA-C-N 117.94 0.336 . . . . 73.54 110.87 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.56 142.83 96.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.407 2.072 . . . . 40.3 112.523 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.08 -31.53 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 124.872 1.269 . . . . 74.55 113.591 -171.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.85 -49.58 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-O 120.885 0.374 . . . . 73.4 111.331 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.46 -38.09 88.8 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.892 0.877 . . . . 62.22 112.0 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 65' ' ' ILE . 15.6 t80 -73.3 -44.19 59.55 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.045 -0.525 . . . . 71.44 111.386 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.83 -27.47 68.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.147 0.579 . . . . 75.33 111.814 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.13 -46.33 90.99 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.323 0.649 . . . . 73.52 111.706 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.43 ' HG2' ' HZ ' ' A' ' 35' ' ' PHE . 15.4 tpt -56.14 -44.96 79.72 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.372 0.669 . . . . 73.51 111.367 174.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 ttt -64.9 -37.71 88.55 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.366 -0.834 . . . . 71.0 111.787 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -22.56 65.68 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.134 0.574 . . . . 70.01 111.705 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -81.71 -52.08 7.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.597 0.759 . . . . 62.2 110.154 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.43 102.58 4.51 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.838 0.855 . . . . 63.42 110.88 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.01 129.35 37.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.542 0.737 . . . . 73.34 111.253 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.28 -175.67 3.79 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.705 0.802 . . . . 64.15 111.258 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -69.99 157.6 37.19 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.648 0.379 . . . . 75.15 111.147 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.83 -37.91 71.9 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 113.1 0.778 . . . . 73.34 113.1 -174.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.69 64.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.39 0.676 . . . . 62.02 111.844 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.19 -49.97 73.69 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.456 0.702 . . . . 72.15 111.3 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.86 -47.08 83.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.963 0.905 . . . . 73.44 111.951 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.96 75.76 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.4 0.68 . . . . 51.03 111.945 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 HD12 ' A' ' 31' ' ' LEU . 43.1 tp -58.77 -42.23 88.46 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.972 0.73 . . . . 70.54 112.972 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.445 HD13 ' HE1' ' A' ' 48' ' ' PHE . 89.0 mt -52.8 -44.44 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 123.743 0.817 . . . . 75.32 111.725 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -67.1 -30.08 70.01 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.232 0.613 . . . . 72.24 112.093 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.3 -49.56 18.79 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.85 0.46 . . . . 74.43 111.742 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.02 -35.72 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 63.44 112.433 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -70.84 -26.75 63.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.877 -0.514 . . . . 63.3 111.534 178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -66.89 -27.38 67.46 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.462 0.305 . . . . 75.02 111.659 168.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.8 mmt-85 -78.69 -28.52 45.23 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.075 0.464 . . . . 73.43 110.178 170.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.92 35.46 4.24 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.794 -0.639 . . . . 61.32 114.395 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -76.55 76.29 3.25 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.231 0.613 . . . . 75.55 110.374 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -97.69 158.9 15.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.893 0.877 . . . . 63.42 111.645 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -90.27 168.14 12.14 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.388 0.675 . . . . 74.33 111.722 173.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.24 -9.72 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 123.757 0.823 . . . . 74.23 112.744 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.62 -0.54 47.52 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.708 0.803 . . . . 24.52 112.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.53 93.65 0.52 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.094 0.558 . . . . 62.42 111.021 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -98.75 -28.12 13.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.474 0.709 . . . . 50.01 112.123 -172.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -73.4 86.25 1.51 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 121.363 0.601 . . . . 71.23 110.877 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.2 t -95.5 134.95 37.76 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.555 0.742 . . . . 72.31 110.385 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -95.64 112.16 23.94 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.457 0.539 . . . . 74.1 112.457 -169.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.6 117.76 7.25 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 108.972 -0.751 . . . . 73.2 108.972 166.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -136.15 162.83 31.85 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.506 0.723 . . . . 72.22 111.332 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -86.08 75.07 9.98 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 107.734 -1.21 . . . . 74.2 107.734 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.6 pt? -84.78 23.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.194 0.998 . . . . 71.03 113.081 -167.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.02 99.46 0.09 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 123.47 0.708 . . . . 63.04 111.316 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -79.23 72.47 5.8 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 124.756 1.222 . . . . 73.12 112.589 -176.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.4 mm 57.12 77.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 124.464 1.106 . . . . 42.31 111.313 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 CA--C 1.565 1.544 0 C-N-CA 123.577 0.751 . . . . 52.13 111.364 -177.334 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.5 mtp . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.812 -0.137 . . . . 73.04 110.776 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.81 100.14 0.17 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 123.039 0.212 . . . . 64.33 113.365 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -105.21 82.99 1.91 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.517 0.727 . . . . 71.32 109.779 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -88.7 104.9 17.31 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.403 0.681 . . . . 73.41 110.895 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.8 116.16 29.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.605 0.762 . . . . 50.3 109.83 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -72.58 98.69 2.37 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.381 0.672 . . . . 75.01 111.111 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -79.65 87.36 5.2 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.451 0.7 . . . . 61.33 110.824 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -96.97 9.18 42.74 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.937 0.895 . . . . 73.02 110.643 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 p -69.09 120.81 15.52 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.958 0.903 . . . . 72.23 111.824 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -108.61 159.59 16.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.255 1.022 . . . . 72.03 110.425 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.4 ttm -92.83 121.3 34.06 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.153 0.581 . . . . 72.34 111.263 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -74.74 131.52 40.9 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.682 0.793 . . . . 65.01 110.746 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -77.62 89.32 3.92 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-O 121.104 0.478 . . . . 70.24 110.161 173.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -99.0 122.11 41.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.259 0.623 . . . . 61.14 110.002 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 p -147.59 90.33 1.85 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 33.45 110.453 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -101.16 87.59 3.29 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.256 0.622 . . . . 70.44 110.692 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.5 tp -90.64 157.65 17.36 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.545 0.688 . . . . 63.43 111.112 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.88 115.91 6.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.095 0.958 . . . . 71.2 109.933 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 95.81 1.04 Allowed 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.181 -0.674 . . . . 73.14 109.181 172.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -73.82 73.69 1.59 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.751 0.82 . . . . 74.3 111.369 -174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.5 mt -99.82 91.06 4.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.892 0.877 . . . . 71.23 110.232 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p -74.12 173.49 10.01 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.383 -0.826 . . . . 63.31 110.382 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -55.98 -28.63 57.98 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.447 0.699 . . . . 73.54 112.387 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.38 -44.94 49.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.972 0.909 . . . . 75.51 110.862 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -63.79 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.376 0.671 . . . . 75.12 111.459 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.42 -47.48 76.11 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.741 0.817 . . . . 75.31 112.262 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -70.06 -29.8 66.89 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 122.924 0.489 . . . . 71.12 111.934 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.86 60.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.944 0.498 . . . . 70.32 110.923 173.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -65.03 -27.64 68.94 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 115.694 -0.685 . . . . 73.53 111.322 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.28 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.661 0.784 . . . . 51.52 111.446 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.637 HD12 HD22 ' A' ' 64' ' ' LEU . 70.9 mt -87.14 12.17 12.21 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.368 0.667 . . . . 60.14 112.141 173.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 63.42 33.99 13.28 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.341 1.056 . . . . 71.51 112.385 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.7 mm -72.97 113.97 26.49 Favored Pre-proline 0 CA--C 1.561 1.386 0 N-CA-C 109.384 -0.598 . . . . 70.03 109.384 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.54 7.32 2.32 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.877 2.385 . . . . 73.41 114.637 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.63 145.74 50.22 Favored Pre-proline 0 N--CA 1.486 1.36 0 C-N-CA 124.303 1.041 . . . . 75.34 110.701 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.87 153.91 74.31 Favored 'Trans proline' 0 C--N 1.387 2.595 0 C-N-CA 122.993 2.462 . . . . 63.42 113.106 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HA ' HD13 ' A' ' 40' ' ' ILE . 55.2 t -51.75 -37.9 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 C-N-CA 124.57 1.148 . . . . 44.42 112.578 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.5 tt0 -52.01 -43.06 63.48 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.442 0.697 . . . . 71.03 112.206 175.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' HD11 ' A' ' 43' ' ' LEU . 88.9 tttt -67.4 -41.43 84.96 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.654 0.382 . . . . 74.45 111.751 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 37' ' ' VAL . 4.7 mp -58.46 -45.44 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 122.321 0.248 . . . . 75.04 110.398 174.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG23 ' HA3' ' A' ' 72' ' ' GLY . 93.4 mt -52.22 -41.28 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.898 0.879 . . . . 70.22 111.548 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.26 -41.3 49.38 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.874 0.87 . . . . 73.41 112.577 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' HE2' ' A' ' 39' ' ' LYS . 96.6 mt -69.63 116.09 39.67 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 123.364 0.666 . . . . 45.15 112.145 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.27 167.15 27.06 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.786 2.324 . . . . 73.22 111.626 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.45 -43.04 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 112.864 0.69 . . . . 70.51 112.864 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.18 -51.23 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 122.674 0.389 . . . . 63.12 111.498 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.79 -36.11 78.18 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.431 0.692 . . . . 62.4 111.873 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 25.9 t80 -72.86 -33.71 66.27 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.816 -0.629 . . . . 72.51 111.558 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.448 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -66.61 -30.1 70.3 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.089 0.555 . . . . 71.01 111.35 177.027 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -67.42 -39.74 85.48 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.885 0.474 . . . . 75.13 111.009 171.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.7 tpt -60.75 -54.57 43.6 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.19 0.596 . . . . 53.44 111.438 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HG3' ' HA ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -74.22 -15.89 60.98 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.287 0.477 . . . . 64.55 112.287 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -59.36 -51.67 68.92 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.739 0.78 . . . . 62.44 110.474 172.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -65.44 -47.92 74.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.002 -1.454 . . . . 75.23 111.305 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -146.41 115.73 7.07 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.712 0.805 . . . . 63.41 110.7 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -81.88 144.46 30.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.32 1.048 . . . . 75.22 112.244 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.99 163.44 12.44 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.868 0.867 . . . . 75.11 110.009 174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -70.09 153.52 43.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.865 0.466 . . . . 70.35 111.158 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.39 -34.15 74.86 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.924 0.713 . . . . 70.22 112.924 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.04 81.06 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.526 0.731 . . . . 55.32 111.724 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.89 -50.53 62.16 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.627 0.771 . . . . 64.32 110.474 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.28 -34.04 73.18 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.018 0.927 . . . . 72.33 112.085 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.58 78.9 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.834 0.854 . . . . 62.22 111.688 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 31' ' ' LEU . 60.8 tp -62.33 -46.21 89.72 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.505 0.722 . . . . 74.02 111.607 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.429 HG23 HG23 ' A' ' 40' ' ' ILE . 98.0 mt -59.01 -43.0 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 123.716 0.806 . . . . 73.4 112.166 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -62.97 -46.26 88.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.51 110.741 175.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.7 -47.95 80.93 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.231 1.012 . . . . 72.32 111.937 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.421 HD13 HG13 ' A' ' 37' ' ' VAL . 87.1 mt -61.95 -45.16 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.307 1.043 . . . . 71.24 111.569 178.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.06 -26.71 68.43 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.37 0.668 . . . . 74.42 112.334 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 74' ' ' ASN . 99.7 mtt180 -71.47 -18.82 62.28 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.018 0.747 . . . . 75.21 113.018 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -84.02 -41.45 17.23 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.754 0.422 . . . . 74.35 111.16 171.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' HA3' HG23 ' A' ' 41' ' ' ILE . . . -78.0 -54.19 4.58 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 114.043 0.377 . . . . 55.11 114.043 -178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -95.31 35.57 1.3 Allowed 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.959 1.304 . . . . 74.53 112.853 -173.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 70' ' ' ARG . 26.0 p30 -92.89 22.76 4.63 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.169 0.803 . . . . 65.24 113.169 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -81.57 16.26 1.8 Allowed 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.862 0.69 . . . . 63.11 112.862 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.53 -67.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.466 0.707 . . . . 74.12 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.48 156.17 6.56 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.586 0.754 . . . . 72.23 111.053 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.23 133.38 51.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.859 0.863 . . . . 61.14 110.589 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -108.31 106.53 16.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.204 0.602 . . . . 75.03 110.463 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.12 -48.17 8.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.433 0.693 . . . . 70.11 110.676 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.49 131.41 35.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.094 0.557 . . . . 54.34 111.149 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -68.94 131.87 45.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.954 0.902 . . . . 74.44 112.278 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.64 127.25 40.2 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.916 0.886 . . . . 74.5 110.426 173.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -66.74 91.88 0.2 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.601 0.76 . . . . 75.32 110.943 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.64 97.43 10.55 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.251 0.548 . . . . 63.15 111.203 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.9 mt -79.14 94.25 5.33 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.818 0.847 . . . . 64.32 109.91 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -83.81 88.32 7.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.25 0.62 . . . . 73.02 110.68 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -101.23 -35.83 9.14 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.202 0.601 . . . . 75.44 111.166 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 mp 60.69 87.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 124.662 1.185 . . . . 74.32 109.61 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.568 1.639 0 C-N-CA 123.757 0.823 . . . . 64.32 112.034 -174.154 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 120.401 0.143 . . . . 63.45 111.293 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.97 134.07 8.18 Favored Glycine 0 N--CA 1.479 1.567 0 CA-C-N 116.743 -0.208 . . . . 71.34 113.165 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -71.83 -29.03 63.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.459 0.704 . . . . 64.41 111.185 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 t60 63.46 23.65 13.77 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 125.301 1.44 . . . . 73.43 113.01 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 55.2 147.75 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 127.018 2.127 . . . . 65.33 116.065 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -138.7 124.91 20.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.207 1.003 . . . . 73.34 110.228 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -140.76 -59.12 0.51 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.855 0.862 . . . . 64.32 111.097 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -59.79 131.77 51.92 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.105 0.562 . . . . 72.41 112.298 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -138.93 -179.33 5.77 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.611 0.764 . . . . 72.04 111.373 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -110.03 46.02 1.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.544 0.738 . . . . 75.43 110.814 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.7 ptp -74.52 2.62 9.22 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.764 0.825 . . . . 70.25 113.009 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -69.62 89.33 0.53 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 121.203 0.525 . . . . 71.44 111.158 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -89.57 11.36 19.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.451 1.101 . . . . 75.01 111.388 173.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 p -65.57 107.3 1.67 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.777 1.231 . . . . 75.44 112.065 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.1 p -125.1 -15.94 6.17 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.1 0.96 . . . . 53.05 111.035 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -83.72 113.23 20.74 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.521 0.728 . . . . 74.21 109.781 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.09 -172.02 2.46 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.196 0.998 . . . . 71.01 112.961 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.604 ' HB3' HD11 ' A' ' 21' ' ' LEU . 5.3 mp0 -71.09 85.67 0.73 Allowed 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 114.257 -1.338 . . . . 61.0 110.746 172.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.58 157.88 45.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.659 0.784 . . . . 74.41 111.183 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.6 m80 61.1 28.63 18.32 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.469 1.108 . . . . 74.11 111.232 -175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 18' ' ' GLU . 54.2 mt -71.54 99.85 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.192 -0.913 . . . . 73.32 110.521 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -66.2 168.01 9.29 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.279 -0.419 . . . . 52.1 110.351 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.41 -20.94 21.99 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.083 0.771 . . . . 72.14 113.083 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.7 m-20 -63.83 -53.97 42.32 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.543 0.737 . . . . 64.3 111.32 172.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -65.4 -27.07 68.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.891 -0.506 . . . . 74.34 112.168 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.67 -40.34 66.36 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.399 0.518 . . . . 74.3 112.399 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 9.0 ptm180 -70.99 -33.23 70.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.465 0.306 . . . . 73.34 110.3 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' ' 64' ' ' LEU . . . -63.92 -48.72 75.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.296 0.639 . . . . 62.03 111.075 173.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -63.37 -26.48 68.77 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.605 1.162 . . . . 63.54 112.415 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.06 94.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.34 0.656 . . . . 70.22 111.657 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HD22 ' A' ' 64' ' ' LEU . 83.4 mt -94.14 10.23 34.64 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.331 0.652 . . . . 75.4 112.356 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.37 36.57 8.96 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.526 1.13 . . . . 74.13 113.184 171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 35' ' ' PHE . 49.6 mm -61.95 124.26 81.07 Favored Pre-proline 0 CA--C 1.563 1.453 0 C-N-CA 123.464 0.706 . . . . 53.52 110.051 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.41 -8.65 20.94 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.653 2.235 . . . . 65.3 113.651 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' H ' HG22 ' A' ' 33' ' ' ILE . 40.0 m-85 -112.02 151.08 43.31 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.699 0.799 . . . . 62.32 111.325 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -64.66 161.16 36.81 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.339 2.026 . . . . 62.21 111.941 165.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 68' ' ' ILE . 44.5 t -62.42 -40.51 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.681 0.792 . . . . 73.21 111.544 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.14 -35.7 67.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.252 0.621 . . . . 75.33 112.264 174.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 43' ' ' LEU . 57.8 tptt -63.26 -45.87 89.49 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.239 0.616 . . . . 74.22 112.0 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.45 -41.4 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.238 0.615 . . . . 75.3 110.61 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.29 -43.0 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.621 0.768 . . . . 73.31 111.803 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -77.15 -21.92 53.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.29 0.636 . . . . 73.42 112.634 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 39' ' ' LYS . 94.6 mt -88.62 108.39 22.6 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-O 119.064 -0.493 . . . . 75.41 110.001 172.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.55 159.83 30.53 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.684 2.256 . . . . 64.13 111.69 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.97 -36.12 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 123.013 0.525 . . . . 64.31 112.207 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.67 -52.86 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-O 121.42 0.629 . . . . 64.44 111.696 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.77 -40.73 75.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.965 0.906 . . . . 62.05 111.795 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -69.09 -34.32 74.92 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.499 -176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.47 -36.4 78.19 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.777 0.431 . . . . 71.43 111.78 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.02 -48.87 72.36 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.515 0.326 . . . . 74.53 110.888 173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.4 tpt -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.379 0.671 . . . . 63.42 111.795 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.8 ttp -74.88 -29.53 61.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.42 1.088 . . . . 61.13 111.605 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -72.54 -46.5 54.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.688 0.395 . . . . 63.11 111.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -46.15 56.45 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.698 0.399 . . . . 63.15 111.201 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.4 82.89 2.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -69.98 101.63 1.83 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.029 0.532 . . . . 74.21 110.923 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.94 167.51 20.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.105 0.562 . . . . 74.22 110.48 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -74.33 151.64 39.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.509 0.324 . . . . 61.32 111.411 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -39.09 61.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.33 1.052 . . . . 72.4 113.527 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.46 71.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.516 0.726 . . . . 42.13 111.82 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -46.78 87.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.495 0.718 . . . . 64.13 111.252 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -38.09 85.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.909 0.883 . . . . 73.41 112.077 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.53 91.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.558 0.743 . . . . 71.01 111.977 175.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 28' ' ' ALA . 56.4 tp -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.085 0.554 . . . . 75.41 111.96 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.11 -39.55 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.594 0.758 . . . . 74.45 111.613 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -62.45 -35.6 79.81 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.608 0.763 . . . . 74.33 111.664 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 6.4 t70 -74.91 -37.35 62.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.798 0.332 . . . . 73.24 111.172 177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 37' ' ' VAL . 45.4 mt -64.45 -34.09 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.167 0 C-N-CA 123.467 0.707 . . . . 74.31 111.129 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.524 0.73 . . . . 74.14 112.757 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 2.1 ptm180 -67.8 -35.21 78.24 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 122.574 0.35 . . . . 54.14 111.619 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.65 -4.57 56.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.983 0.513 . . . . 72.04 111.147 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.33 -179.93 52.47 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 116.569 -0.287 . . . . 74.43 113.426 171.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.5 tttt 56.31 58.65 4.12 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.635 1.174 . . . . 72.12 110.228 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -69.81 -38.6 76.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.84 -1.073 . . . . 73.43 111.446 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -77.3 131.38 38.11 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 121.145 0.498 . . . . 72.52 110.817 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.1 -35.83 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.574 0.75 . . . . 73.22 109.327 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 72.02 145.73 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.808 1.643 . . . . 60.04 112.95 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 68.91 119.34 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 125.13 1.372 . . . . 44.4 111.707 -171.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -56.99 -37.17 71.26 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.616 0.766 . . . . 74.1 111.628 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -134.41 120.03 19.31 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.046 -1.094 . . . . 52.52 108.046 170.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.2 p -72.14 116.21 12.28 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.932 0.493 . . . . 73.22 111.579 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -99.57 139.46 35.19 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.713 0.805 . . . . 73.31 110.293 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -163.67 105.4 0.95 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.421 0.688 . . . . 74.23 110.997 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -151.66 155.0 37.48 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.532 0.733 . . . . 61.23 110.088 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -92.17 179.95 5.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.094 0.557 . . . . 73.25 111.485 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -152.76 93.59 1.78 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.723 -0.843 . . . . 63.25 108.723 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.9 114.59 4.94 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.295 0.638 . . . . 75.43 111.754 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -128.31 137.86 52.13 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.906 0.882 . . . . 71.24 110.17 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.4 pp -75.52 177.66 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 123.018 0.527 . . . . 73.44 112.15 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 CA--C 1.577 2.008 0 CA-C-O 120.962 0.41 . . . . 73.44 112.001 -179.301 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.883 -0.414 . . . . 61.42 109.883 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.74 -151.92 52.32 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.547 0.529 . . . . 74.2 114.204 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 70.35 142.71 0.05 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 125.351 1.46 . . . . 72.24 113.636 174.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -83.28 100.35 10.57 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.923 -0.581 . . . . 73.35 109.504 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -78.1 98.14 5.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.689 0.796 . . . . 65.1 110.633 -174.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -131.68 155.86 46.89 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.833 0.853 . . . . 72.44 111.767 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -126.68 139.86 52.84 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.018 0.927 . . . . 54.43 110.219 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -113.98 2.61 15.06 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.122 0.569 . . . . 70.41 112.26 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.7 m -67.9 118.14 10.72 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.595 0.758 . . . . 51.54 111.719 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -76.06 149.98 37.39 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 113.06 0.763 . . . . 73.15 113.06 -171.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.93 91.72 1.57 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.597 -0.89 . . . . 74.0 108.597 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -95.86 -11.91 26.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.478 0.711 . . . . 61.12 112.478 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -80.59 64.53 5.41 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.97 0.89 . . . . 63.52 111.162 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 m -144.32 114.35 7.36 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.562 0.745 . . . . 73.44 110.444 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 p -92.04 101.51 14.05 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.253 0.621 . . . . 74.01 110.421 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -70.07 100.82 1.69 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.279 0.632 . . . . 61.41 109.843 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 tp -138.98 158.26 44.52 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.607 0.763 . . . . 64.32 110.58 -174.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -54.56 134.97 46.7 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.363 1.065 . . . . 75.43 112.736 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.29 -170.54 2.3 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.996 0.918 . . . . 73.25 110.966 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -92.54 37.99 1.01 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.427 0.691 . . . . 62.52 110.393 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -55.1 92.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 114.134 1.161 . . . . 75.5 114.134 -165.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -76.22 173.56 11.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.913 -1.04 . . . . 64.22 110.498 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -56.71 -38.33 72.17 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.41 0.284 . . . . 75.21 111.008 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.74 -47.72 81.66 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.703 0.801 . . . . 70.31 112.102 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -67.98 -37.41 81.47 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.401 0.519 . . . . 65.42 112.401 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.38 -42.34 98.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.097 0.559 . . . . 53.34 111.576 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -76.76 -37.51 55.78 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.858 0.863 . . . . 71.03 112.061 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -53.2 19.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.798 0.839 . . . . 63.21 112.081 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.52 -23.77 63.64 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.115 0.566 . . . . 75.44 111.218 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.28 71.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.106 0.563 . . . . 64.05 111.791 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD12 HD22 ' A' ' 64' ' ' LEU . 95.5 mt -84.41 -2.33 56.99 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.367 0.667 . . . . 73.11 112.489 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.9 t60 64.07 57.66 1.26 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.555 1.142 . . . . 73.01 111.778 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -82.19 118.79 73.26 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.51 -0.768 . . . . 75.32 109.262 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.98 -1.1 10.77 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.847 2.365 . . . . 75.33 113.839 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -112.47 156.09 42.77 Favored Pre-proline 0 N--CA 1.481 1.125 0 C-N-CA 123.792 0.837 . . . . 74.34 111.346 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 165.64 28.37 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.287 1.991 . . . . 74.04 112.354 168.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.36 -36.73 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.316 0.646 . . . . 74.52 111.362 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.82 -40.67 89.21 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.983 0.913 . . . . 74.34 112.549 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -47.23 80.58 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 112.376 0.51 . . . . 75.41 112.376 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.65 -40.65 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.382 0 C-N-CA 123.112 0.565 . . . . 73.22 110.762 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.86 -47.01 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.847 0.859 . . . . 74.11 112.747 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -82.08 -12.22 58.35 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 113.264 0.838 . . . . 72.04 113.264 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.79 112.5 32.4 Favored Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 123.028 0.531 . . . . 61.1 111.39 174.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.48 167.68 23.39 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.897 2.398 . . . . 64.53 112.05 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.81 -47.95 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 123.617 0.767 . . . . 64.45 112.977 -171.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.79 -46.94 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.109 0.48 . . . . 70.14 111.206 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.14 -41.5 96.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.434 1.094 . . . . 73.42 112.039 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 65' ' ' ILE . 67.7 t80 -73.49 -38.77 65.27 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.64 -0.709 . . . . 73.22 112.146 -175.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -38.36 86.33 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.116 0.484 . . . . 75.34 110.603 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.1 -41.69 97.13 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.226 1.01 . . . . 64.43 111.165 171.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 ttt -74.49 -42.33 59.17 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.067 0.766 . . . . 70.4 113.067 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -74.49 -21.53 59.52 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.053 0.39 . . . . 64.24 112.053 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -64.92 -35.56 81.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.224 0.609 . . . . 63.32 111.76 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -98.92 -23.42 15.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.527 0.731 . . . . 71.21 112.057 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -115.93 88.46 2.89 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.816 0.846 . . . . 71.43 109.348 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -81.07 135.53 35.83 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.734 0.414 . . . . 64.51 111.58 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -123.93 171.61 9.57 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.103 0.961 . . . . 75.12 110.158 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.41 159.78 31.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.64 0.376 . . . . 74.44 111.375 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -64.28 -32.81 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.79 0.663 . . . . 71.43 112.79 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.73 68.2 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.203 0.601 . . . . 31.15 111.335 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -63.03 -48.65 77.81 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.432 0.693 . . . . 64.42 111.012 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.65 -29.79 68.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.652 0.781 . . . . 53.31 112.486 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.15 91.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.089 0.555 . . . . 34.43 111.169 173.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 31' ' ' LEU . 43.3 tp -58.84 -50.46 73.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 115.381 -0.827 . . . . 50.31 111.673 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.509 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 82.3 mt -58.93 -44.2 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.531 0.732 . . . . 72.42 111.844 -176.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -60.95 -35.77 77.61 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.753 0.421 . . . . 73.14 111.672 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.81 -48.2 69.67 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.585 0.754 . . . . 73.21 111.546 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 122.901 0.48 . . . . 70.21 111.279 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -44.52 71.42 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.03 0.932 . . . . 71.51 111.109 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -71.24 -27.85 63.76 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.847 0.459 . . . . 72.54 111.435 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -82.21 -14.59 55.34 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.435 0.694 . . . . 74.22 111.643 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.93 159.89 46.1 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-O 119.869 -0.406 . . . . 54.42 112.57 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? 58.56 30.12 19.36 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 124.151 0.98 . . . . 53.01 112.276 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -83.58 5.67 23.4 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 113.807 1.04 . . . . 74.55 113.807 -171.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.7 81.02 2.05 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.998 0.74 . . . . 74.22 112.998 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.6 t 61.94 -65.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 126.752 2.021 . . . . 71.02 114.727 167.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.45 114.91 1.05 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.546 1.538 . . . . 74.35 113.53 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.65 140.06 47.71 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.66 0.784 . . . . 70.0 111.625 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.38 133.61 34.12 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.589 0.756 . . . . 73.45 111.17 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -70.51 132.08 44.99 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.231 0.612 . . . . 72.4 112.153 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 51.4 t -149.28 161.53 41.85 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.222 1.009 . . . . 72.01 110.279 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 82' ' ' ARG . 4.2 mpt_? -74.78 141.59 44.36 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.898 0.479 . . . . 75.42 110.654 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -125.47 159.3 32.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.536 0.734 . . . . 72.3 111.11 -162.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 143.81 17.29 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.707 1.373 . . . . 74.41 114.707 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.2 158.34 34.36 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 72.41 110.27 176.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 mt 55.59 79.11 0.17 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.597 1.159 . . . . 71.14 112.568 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.06 0.56 10.76 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.437 0.695 . . . . 74.44 112.326 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 64.45 -84.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.956 1.303 . . . . 75.43 111.96 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.3 mm 65.02 139.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 C-N-CA 125.274 1.43 . . . . 74.24 114.231 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 CA--C 1.57 1.75 0 C-N-CA 124.7 1.2 . . . . 72.04 110.449 167.072 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 120.265 0.078 . . . . 74.54 111.187 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.46 -68.31 2.97 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 116.654 -0.248 . . . . 44.31 112.976 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -84.32 131.45 34.71 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.497 0.719 . . . . 71.12 110.072 172.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -61.79 -50.33 72.77 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.777 0.831 . . . . 73.04 112.723 -171.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.8 t60 68.0 159.32 0.16 Allowed 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 124.878 1.271 . . . . 73.14 112.779 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 75.81 138.49 0.06 Allowed 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.473 1.509 . . . . 71.14 112.506 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -97.8 -179.63 4.5 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.174 0.99 . . . . 71.32 112.372 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -97.12 117.92 32.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 121.147 0.499 . . . . 71.31 110.48 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -108.91 -77.75 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.901 -0.499 . . . . 71.32 111.063 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 62.37 8.77 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.738 1.215 . . . . 74.42 113.571 -173.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.6 ttt -84.98 90.15 7.76 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.478 0.711 . . . . 72.25 109.811 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -165.99 179.44 5.82 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.796 0.839 . . . . 74.45 110.257 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -99.77 170.48 8.52 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.293 0.637 . . . . 72.34 110.519 171.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -75.03 84.97 2.29 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.156 0.503 . . . . 34.41 110.231 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.3 t -161.89 168.59 22.72 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.061 0.945 . . . . 54.35 111.142 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.19 108.88 20.71 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.792 0.837 . . . . 74.14 110.712 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.39 140.31 33.76 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.964 0.506 . . . . 54.45 112.34 177.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 57.93 17.19 4.15 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.997 1.319 . . . . 74.25 113.778 167.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.02 72.06 9.07 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.385 0.674 . . . . 65.44 110.985 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 59.03 20.25 8.07 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 124.851 1.26 . . . . 74.12 112.693 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -82.4 93.01 7.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.531 0.732 . . . . 43.32 111.63 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -82.7 -179.0 7.29 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.963 0.905 . . . . 63.01 111.725 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -63.27 -41.72 99.06 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.627 0.371 . . . . 63.24 110.318 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.33 -44.7 95.89 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.798 0.839 . . . . 55.3 111.756 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -57.45 -53.31 59.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.535 0.734 . . . . 64.43 112.143 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.72 -41.87 91.84 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 112.724 0.638 . . . . 75.43 112.724 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -76.82 -32.64 57.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.821 0.675 . . . . 74.13 112.821 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.31 65.77 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.847 0.459 . . . . 75.01 111.717 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.86 -24.28 59.72 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.727 0.411 . . . . 72.42 110.764 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.55 -29.68 67.32 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.337 0.655 . . . . 72.4 111.512 167.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' ' 61' ' ' GLN . 92.0 mt -79.86 -3.65 48.81 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.261 0.624 . . . . 71.11 111.796 169.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 64.07 35.25 10.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.621 1.168 . . . . 75.3 111.487 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG21 HD11 ' A' ' 40' ' ' ILE . 48.7 mm -65.02 126.65 91.67 Favored Pre-proline 0 CA--C 1.561 1.377 0 C-N-CA 122.933 0.493 . . . . 73.3 110.232 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.43 -21.14 66.73 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.376 2.718 . . . . 51.42 114.613 -176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' HE1' ' HG2' ' A' ' 51' ' ' MET . 2.1 p90 -129.89 151.38 78.11 Favored Pre-proline 0 CA--C 1.565 1.543 0 C-N-CA 123.731 0.813 . . . . 74.24 112.296 -174.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' O ' HD12 ' A' ' 40' ' ' ILE . 47.9 Cg_exo -58.68 160.86 16.29 Favored 'Trans proline' 0 C--N 1.388 2.625 0 C-N-CA 123.945 3.097 . . . . 70.43 114.595 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 68' ' ' ILE . 93.8 t -59.75 -44.17 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 123.165 0.586 . . . . 63.24 112.48 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp0 -59.02 -27.51 65.53 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.612 0.365 . . . . 73.22 111.922 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.1 tpmt? -71.19 -43.91 66.47 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 119.064 -0.493 . . . . 73.43 110.877 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 33' ' ' ILE . 4.4 mp -57.15 -42.13 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 118.166 0.439 . . . . 75.34 110.319 172.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 38' ' ' GLU . 85.3 mt -58.36 -43.2 85.84 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.391 0 C-N-CA 123.906 0.882 . . . . 63.33 111.899 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -97.3 4.99 50.65 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 113.738 1.014 . . . . 65.11 113.738 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 62.2 mt -101.02 109.74 59.17 Favored Pre-proline 0 N--CA 1.491 1.597 0 C-N-CA 122.991 0.517 . . . . 74.54 110.807 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -60.46 165.71 10.79 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.684 2.256 . . . . 53.03 112.167 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 -39.2 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 123.443 0.697 . . . . 44.01 112.377 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.88 -51.02 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 123.315 0.646 . . . . 53.42 111.831 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.11 -34.26 75.99 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.031 0.932 . . . . 74.4 112.023 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HZ ' HD13 ' A' ' 65' ' ' ILE . 14.6 t80 -72.6 -34.98 67.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.476 0.711 . . . . 72.21 110.741 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 52' ' ' MET . 0.9 OUTLIER -68.91 -25.39 64.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.18 0.992 . . . . 73.0 112.713 178.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -56.15 -47.75 77.62 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.89 0.476 . . . . 73.04 110.905 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.402 ' HG2' ' HE1' ' A' ' 35' ' ' PHE . 15.7 tpt -73.26 -43.74 60.54 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.118 0.567 . . . . 62.42 111.242 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 56' ' ' GLN . 47.7 ttm -65.6 -17.04 64.29 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.074 0.95 . . . . 71.22 112.736 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.9 t -55.47 -29.51 58.87 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.246 1.018 . . . . 51.04 112.606 176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.2 -52.94 5.12 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.269 0.627 . . . . 72.5 111.176 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -141.11 141.52 34.19 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.997 0.919 . . . . 70.53 110.439 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.729 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 0.2 OUTLIER -79.46 6.72 9.57 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.111 0.782 . . . . 72.03 113.111 -175.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 69.23 166.66 0.27 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 125.16 1.384 . . . . 65.41 112.148 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 58.2 t30 -77.87 153.82 32.33 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 115.829 -0.623 . . . . 63.01 110.422 174.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.13 -44.19 95.1 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.913 0.885 . . . . 72.33 111.688 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.28 73.01 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.05 0.94 . . . . 34.45 112.555 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 31' ' ' LEU . 89.8 mt-30 -70.09 -52.38 24.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.318 0.647 . . . . 61.21 110.658 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.34 -30.46 69.55 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.405 1.082 . . . . 75.43 112.614 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HA ' HH21 ' A' ' 66' ' ' ARG . . . -54.27 -46.54 72.7 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.771 0.828 . . . . 63.51 111.728 174.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 tp -76.39 -49.97 15.41 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.442 -0.799 . . . . 75.35 111.715 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.495 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 79.3 mt -52.64 -50.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.606 1.162 . . . . 71.14 113.454 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.415 HH21 ' HA ' ' A' ' 63' ' ' ALA . 77.9 mtm180 -60.14 -43.32 95.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.897 0.479 . . . . 75.22 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.97 -39.57 92.61 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.406 0.682 . . . . 74.43 111.746 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 37' ' ' VAL . 75.1 mt -66.32 -41.67 89.39 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 123.609 0.763 . . . . 73.23 111.766 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -68.28 -41.2 81.37 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.913 0.485 . . . . 74.4 111.75 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -71.98 -24.01 61.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.258 0.623 . . . . 73.51 111.495 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -76.16 -37.81 57.49 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.531 0.732 . . . . 71.04 110.547 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.37 61.17 4.75 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.585 -0.734 . . . . 72.33 113.596 -175.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.55 81.34 7.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.764 0.826 . . . . 72.34 109.442 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -152.03 171.13 18.32 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.578 0.751 . . . . 72.54 111.598 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -93.21 131.46 38.27 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.822 0.849 . . . . 70.34 109.381 170.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.1 m -62.59 -24.02 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 112.921 0.712 . . . . 75.31 112.921 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.9 132.17 35.17 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.625 0.77 . . . . 75.41 111.385 175.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.41 -167.27 1.77 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.13 0.972 . . . . 34.23 110.113 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.69 120.25 13.75 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 110.035 -0.357 . . . . 64.12 110.035 172.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -66.41 100.78 0.68 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 121.466 0.65 . . . . 72.54 111.411 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.86 104.66 11.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.942 0.897 . . . . 63.42 110.458 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -132.14 174.76 9.87 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.915 0.886 . . . . 65.22 110.074 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.79 173.77 16.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 112.939 0.718 . . . . 70.35 112.939 -169.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.88 133.73 50.63 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.103 0.961 . . . . 74.42 110.922 173.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -80.16 81.43 6.41 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.869 0.842 . . . . 74.04 110.654 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.0 mt -88.72 -175.34 4.87 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 115.222 -0.899 . . . . 74.25 111.363 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.3 -9.29 58.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.701 0.8 . . . . 71.51 112.663 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.24 107.03 0.97 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.684 0.794 . . . . 64.43 111.764 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.7 pt -98.08 174.24 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.236 0.614 . . . . 65.52 111.027 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.582 2.176 0 C-N-CA 123.414 0.685 . . . . 65.11 112.284 178.356 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.534 0.207 . . . . 73.45 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.81 86.49 0.36 Allowed Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.471 -0.332 . . . . 63.04 112.974 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.02 113.33 8.94 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.757 0.823 . . . . 74.44 110.426 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -135.28 128.33 31.63 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.437 0.695 . . . . 72.11 111.872 -174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -103.51 111.39 23.81 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.811 0.845 . . . . 74.24 109.728 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -136.93 -16.09 1.49 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.939 0.496 . . . . 72.4 111.894 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -73.53 126.54 30.46 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.078 0.551 . . . . 74.3 111.423 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -89.34 97.89 11.45 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.401 1.08 . . . . 75.52 110.109 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -130.65 133.28 45.99 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 112.77 0.655 . . . . 64.01 112.77 -172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -123.88 127.86 48.63 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.984 1.314 . . . . 71.54 109.362 170.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtm -119.68 156.2 30.94 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.253 0.621 . . . . 72.51 110.862 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -94.55 146.55 24.03 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.35 0.66 . . . . 72.15 111.238 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -138.22 83.67 1.99 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.749 0.819 . . . . 71.3 108.803 169.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.2 t -87.47 163.46 16.69 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.798 0.839 . . . . 60.44 112.268 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.1 t -147.12 143.75 28.51 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.196 0.998 . . . . 75.54 110.382 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.47 165.32 21.34 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.203 0.525 . . . . 74.34 111.889 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 tp -153.44 174.36 14.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.542 1.137 . . . . 73.24 109.162 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.09 97.56 0.12 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 109.787 -0.449 . . . . 71.21 109.787 168.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 85.35 3.04 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.385 0.612 . . . . 51.41 110.7 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -80.25 81.54 6.49 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.392 0.615 . . . . 63.52 109.901 176.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.37 82.5 8.3 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.703 0.763 . . . . 74.42 109.208 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.9 p -73.92 177.66 5.44 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.496 -1.229 . . . . 73.34 112.65 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 26' ' ' LEU . 71.7 ttt180 -61.42 -32.33 72.28 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.016 0.927 . . . . 71.22 110.689 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.92 -34.24 77.35 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.698 -1.137 . . . . 73.23 111.38 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.703 ' HA ' HG21 ' A' ' 37' ' ' VAL . 6.2 tm-20 -67.78 -45.57 74.47 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.273 0.629 . . . . 63.35 110.334 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 23' ' ' ARG . 65.6 mt -56.1 -46.19 79.18 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.395 1.078 . . . . 64.21 112.29 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.4 ptp180 -72.65 -34.42 67.26 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.079 0.552 . . . . 72.14 111.782 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.11 67.87 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.538 0.735 . . . . 70.44 112.592 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.56 -25.13 67.84 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.571 0.748 . . . . 73.4 111.701 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -36.32 78.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.464 0.705 . . . . 73.01 111.8 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.14 -5.33 55.2 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.708 0.803 . . . . 63.53 112.251 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 62.24 59.49 1.6 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.877 1.271 . . . . 72.53 111.895 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 65' ' ' ILE . 51.2 mm -70.41 120.93 81.63 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-N 115.442 -0.799 . . . . 71.33 109.837 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.52 6.41 4.83 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.052 2.501 . . . . 75.34 114.64 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -108.89 157.96 35.45 Favored Pre-proline 0 N--CA 1.487 1.415 0 C-N-CA 123.447 0.699 . . . . 62.22 111.629 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -63.76 128.51 22.29 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 121.825 1.683 . . . . 52.14 109.34 159.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 25' ' ' GLU . 58.7 t -70.42 -28.85 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 112.288 0.477 . . . . 71.21 112.288 -172.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -36.06 82.79 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.968 -0.382 . . . . 63.13 109.968 171.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -64.72 -37.53 87.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.744 0.818 . . . . 73.53 111.5 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.44 -48.51 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 123.42 0.688 . . . . 63.43 111.052 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.16 -26.13 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 C-N-CA 123.957 0.903 . . . . 72.1 111.464 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -83.31 -38.1 22.56 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.51 0.724 . . . . 64.31 111.97 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.59 120.45 75.56 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.997 0.919 . . . . 70.53 111.716 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.87 165.7 18.06 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 122.962 2.441 . . . . 61.45 112.167 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.43 -52.71 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 113.288 0.847 . . . . 74.21 113.288 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.2 t -60.64 -41.63 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-O 121.17 0.51 . . . . 72.24 111.955 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.71 -41.7 78.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.299 1.04 . . . . 73.23 112.052 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.069 -0.969 . . . . 74.32 111.434 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' HA ' ' HG3' ' A' ' 52' ' ' MET . 6.3 m-80 -64.71 -35.86 82.43 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.819 0.848 . . . . 72.34 111.121 174.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.0 tp10 -59.48 -48.52 81.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.688 0.795 . . . . 72.15 110.881 172.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.97 -45.84 84.01 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.645 0.778 . . . . 71.41 112.454 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -74.07 -16.29 61.04 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.504 0.557 . . . . 70.11 112.504 -176.192 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -86.29 -23.5 26.29 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.241 0.616 . . . . 75.02 111.578 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 29.8 mtpp -78.32 -47.65 17.32 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.048 0.539 . . . . 75.41 111.054 173.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -87.43 145.09 26.43 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.674 0.789 . . . . 74.35 110.841 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.04 130.66 38.55 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.915 0.486 . . . . 73.52 110.856 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 92.5 m-85 -128.29 159.46 35.2 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.508 0.723 . . . . 74.03 111.595 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -78.61 154.02 30.63 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 115.417 -0.811 . . . . 55.04 109.318 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.48 -41.92 81.61 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.112 0.965 . . . . 63.34 111.32 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.51 77.84 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.859 0.864 . . . . 71.54 112.084 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.99 -54.46 46.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.198 0.599 . . . . 74.24 111.555 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.99 -41.74 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.996 0.918 . . . . 74.45 112.796 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.95 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.835 0.854 . . . . 63.31 112.838 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.439 HD11 ' HD3' ' A' ' 27' ' ' ARG . 54.8 tp -71.92 -37.87 69.98 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.335 -0.393 . . . . 73.45 112.024 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 33' ' ' ILE . 68.8 mt -57.55 -40.49 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 C-N-CA 123.536 0.734 . . . . 74.42 111.901 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.61 -34.99 75.05 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.521 0.729 . . . . 74.4 111.877 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.21 -51.34 25.27 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 122.996 0.518 . . . . 64.31 111.134 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.34 -44.42 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.08 0.952 . . . . 62.33 112.559 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -50.63 71.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.518 0.727 . . . . 70.42 110.516 -176.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -70.36 -45.75 65.46 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.297 0.639 . . . . 72.41 112.251 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.659 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -75.04 -62.75 1.44 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.788 0.435 . . . . 63.0 110.081 -175.478 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.59 50.94 Favored Glycine 0 CA--C 1.536 1.355 0 N-CA-C 116.019 1.167 . . . . 61.32 116.019 170.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -83.92 -64.72 1.11 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.886 0.874 . . . . 61.13 112.19 -172.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -127.81 -79.21 0.58 Allowed 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 123.044 0.537 . . . . 74.33 112.207 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -78.51 124.39 28.09 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 122.642 0.377 . . . . 73.14 111.591 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 71' ' ' ARG . 27.4 m -79.93 64.27 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 CA-C-O 122.49 1.138 . . . . 72.24 111.653 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 145.32 8.28 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.564 1.145 . . . . 55.23 110.194 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.02 81.61 6.25 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.242 0.617 . . . . 51.42 111.101 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -155.08 152.91 30.12 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.008 0.923 . . . . 61.01 110.745 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.93 92.95 1.67 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.246 0.619 . . . . 62.21 109.996 174.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.9 t -70.2 106.42 3.3 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.815 -0.629 . . . . 42.35 111.133 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -80.61 127.27 32.27 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 109.442 -0.577 . . . . 71.33 109.442 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -85.18 122.68 29.72 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.342 0.497 . . . . 71.44 112.342 -170.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -94.55 -169.26 2.0 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.925 0.89 . . . . 71.24 110.067 173.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.15 144.43 29.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.846 -0.533 . . . . 74.43 110.778 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.77 145.2 50.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.338 0.655 . . . . 70.03 111.049 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.53 127.99 34.22 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.949 0.5 . . . . 70.13 110.97 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -69.53 144.35 53.16 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.427 0.691 . . . . 75.22 110.907 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.2 pt -72.26 145.77 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.115 0.566 . . . . 63.23 111.285 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 CA--C 1.57 1.748 0 C-N-CA 123.233 0.613 . . . . 61.41 111.579 -175.169 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.418 0.151 . . . . 71.31 111.147 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.12 141.9 13.06 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 123.091 0.377 . . . . 64.35 112.449 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -153.61 72.52 0.92 Allowed 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.257 0.551 . . . . 72.41 110.758 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -145.09 112.99 6.38 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.983 0.913 . . . . 52.33 109.77 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -126.07 116.19 21.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.692 0.797 . . . . 72.44 110.142 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -133.84 133.45 41.6 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.0 0.92 . . . . 70.41 110.937 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -143.88 78.72 1.6 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.983 0.913 . . . . 74.23 109.515 170.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -74.06 89.38 1.95 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.109 0.48 . . . . 75.2 109.861 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -112.34 162.34 15.65 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.075 0.95 . . . . 73.25 111.86 -172.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -83.91 137.25 33.75 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.693 0.797 . . . . 74.43 111.222 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -157.16 152.8 26.74 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.955 0.902 . . . . 73.12 108.819 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -50.0 124.35 9.9 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 124.092 0.957 . . . . 70.04 113.024 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -65.21 93.68 0.14 Allowed 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 122.008 0.909 . . . . 73.03 111.663 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 p -146.22 104.23 3.78 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.97 0.908 . . . . 70.13 109.808 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.3 m -79.05 69.98 5.32 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.717 0.77 . . . . 73.1 110.689 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -144.11 124.29 13.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.415 1.086 . . . . 72.32 110.559 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.28 138.81 42.11 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.318 -0.993 . . . . 75.4 108.318 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -65.53 93.2 0.15 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.263 0.625 . . . . 73.23 111.028 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.32 -36.85 24.1 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.057 0.943 . . . . 62.55 111.31 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -85.31 64.61 8.76 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 121.949 0.88 . . . . 71.32 110.324 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.12 92.64 9.22 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.559 0.744 . . . . 74.45 110.342 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -74.88 173.73 10.21 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 52.11 111.55 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -51.99 -44.08 63.9 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.153 0.981 . . . . 74.51 112.229 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -68.55 -41.63 79.53 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 124.602 1.161 . . . . 73.41 112.551 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.11 -39.67 79.26 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.372 0.669 . . . . 64.41 111.912 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.33 -39.84 95.67 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.61 0.764 . . . . 75.23 111.703 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -71.69 -36.81 70.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.364 0.666 . . . . 75.11 112.343 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -48.71 72.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.944 0.498 . . . . 52.53 110.916 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.41 -28.09 69.75 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.687 -0.688 . . . . 74.13 111.396 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.53 92.74 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.029 0.532 . . . . 72.23 111.734 174.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.57 -5.18 59.1 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.199 0.6 . . . . 74.43 112.585 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 61.77 49.01 5.09 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.599 1.16 . . . . 73.43 110.97 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 49.7 mm -70.82 126.65 92.19 Favored Pre-proline 0 CA--C 1.558 1.287 0 C-N-CA 123.591 0.757 . . . . 72.13 109.337 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 25.7 Cg_exo -64.74 -10.27 24.21 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.12 2.546 . . . . 64.44 114.968 -174.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.16 151.85 43.96 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 123.494 0.718 . . . . 52.43 111.259 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.79 143.71 74.76 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 121.997 1.798 . . . . 51.11 109.968 159.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 68' ' ' ILE . 73.5 t -58.86 -32.81 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 113.09 0.774 . . . . 63.13 113.09 -173.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.52 -35.07 60.28 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 112.349 0.5 . . . . 74.41 112.349 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -55.8 -51.24 68.16 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.27 0.628 . . . . 74.2 111.923 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -62.65 -37.44 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 123.59 0.756 . . . . 72.55 110.6 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.03 -40.63 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.883 0.873 . . . . 64.05 111.956 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 12.9 m120 -76.72 -24.86 53.07 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.495 0.554 . . . . 63.33 112.495 -175.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 108.54 23.82 Favored Pre-proline 0 CA--C 1.566 1.565 0 C-N-CA 123.265 0.626 . . . . 71.32 111.636 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 6.4 Cg_exo -74.41 -172.0 1.07 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 123.009 2.472 . . . . 55.54 112.125 172.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -53.33 -56.56 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 113.285 0.846 . . . . 70.15 113.285 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.83 -52.87 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-O 121.109 0.48 . . . . 53.33 111.931 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 6.0 m-20 -67.87 -38.97 83.76 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.616 0.767 . . . . 72.13 112.987 -174.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.19 -43.17 64.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.107 0.563 . . . . 55.14 112.309 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -56.1 -27.09 52.39 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.927 0.714 . . . . 53.51 112.927 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.01 -48.74 75.36 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.594 0.758 . . . . 74.53 112.217 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.4 tpt -70.58 -43.45 69.39 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.301 0.64 . . . . 45.54 111.662 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.401 ' SD ' ' NH2' ' A' ' 66' ' ' ARG . 56.9 ttp -65.32 -31.73 73.01 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.635 0.774 . . . . 73.41 111.691 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 t -70.97 -41.41 71.06 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.582 0.753 . . . . 73.54 111.015 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -64.7 -49.23 71.71 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.406 -1.27 . . . . 65.22 111.673 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.48 130.5 19.44 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.284 0.634 . . . . 74.34 109.93 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.52 153.9 41.86 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.861 0.864 . . . . 71.44 112.994 -173.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -120.22 156.17 31.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.296 1.038 . . . . 71.43 108.392 171.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -69.66 156.72 38.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.33 0.252 . . . . 73.53 111.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.18 -33.87 71.44 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.565 0.746 . . . . 74.22 112.764 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.38 95.98 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.617 0.767 . . . . 61.14 111.82 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -69.39 -54.31 15.07 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.193 0.997 . . . . 74.21 111.136 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD22 HH12 ' A' ' 66' ' ' ARG . 82.4 mt -62.47 -27.74 69.34 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.825 0.85 . . . . 72.43 112.655 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.21 -59.52 4.55 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.765 0.826 . . . . 73.43 111.735 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.67 -45.11 85.99 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.716 0.806 . . . . 75.03 111.272 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.93 -35.76 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.446 0 C-N-CA 123.817 0.847 . . . . 71.01 112.39 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.619 HH12 HD22 ' A' ' 62' ' ' LEU . 59.2 mmt-85 -64.34 -51.15 64.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 110.116 -0.328 . . . . 75.04 110.116 175.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 22.5 m-20 -59.42 -38.35 80.42 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.009 0.924 . . . . 64.53 112.409 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 37' ' ' VAL . 84.6 mt -61.62 -45.71 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.393 0.677 . . . . 72.31 111.13 176.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.92 -30.1 71.07 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.22 0.608 . . . . 74.31 112.079 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 22.9 mmt85 -65.11 -47.75 76.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.766 0.426 . . . . 73.13 110.235 173.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 11.3 mmm180 -75.23 -24.9 57.75 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 116.104 -0.498 . . . . 72.54 111.05 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.95 -170.5 44.17 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 115.516 -0.766 . . . . 33.11 112.606 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -92.4 57.97 3.1 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-O 121.65 0.738 . . . . 63.33 112.75 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -82.2 70.04 9.05 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.974 0.893 . . . . 61.01 109.614 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.34 101.46 10.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.419 -0.809 . . . . 63.25 109.047 176.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.7 t -66.25 -45.56 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.912 0.885 . . . . 73.1 111.625 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.51 108.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.834 1.254 . . . . 62.25 111.257 -172.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 73.73 149.36 0.1 Allowed 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 125.365 1.466 . . . . 72.03 112.457 -172.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -125.08 138.81 54.18 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.509 0.724 . . . . 74.21 111.673 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -135.71 107.52 7.05 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.973 0.909 . . . . 75.31 109.898 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.4 m -143.01 80.38 1.68 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.567 0.747 . . . . 60.13 111.195 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -154.35 -1.9 0.18 Allowed 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.46 0.704 . . . . 75.14 112.586 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.98 76.96 2.19 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.645 0.736 . . . . 64.05 111.108 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -101.85 100.18 10.48 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.938 0.895 . . . . 75.44 109.128 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -153.32 172.48 16.96 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.164 0.586 . . . . 73.05 111.889 -171.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.42 95.52 4.46 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.598 -0.728 . . . . 64.43 109.328 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -110.72 150.89 28.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.462 0.705 . . . . 70.53 110.55 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -77.29 170.07 17.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.501 0.72 . . . . 73.42 112.817 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.2 tt -152.05 142.07 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.604 0.762 . . . . 72.2 110.357 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.577 1.981 0 C-N-CA 123.427 0.691 . . . . 70.11 111.472 176.736 . . . . . . . . 0 0 . 1 stop_ save_